core.init: (3) Rosetta version exported from http://www.rosettacommons.org core.init: (3) command: FloppyTail.mpi.linuxgccrelease -in:file:s p53MDM2added2aaCterminal_0001_0149.pdb -in:file:movemap mapmover -FloppyTail::perturb_temp 0.8 -FloppyTail::perturb_cycles 100 -FloppyTail::refine_temp 0.8 -FloppyTail::refine_cycles 100 -FloppyTail::refine_repack_cycles 30 -use_input_sc -ex1 -ex2 -out:pdb -resfile resfile2 -nstruct 8 core.init: (0) Rosetta version exported from http://www.rosettacommons.org core.init: (0) command: FloppyTail.mpi.linuxgccrelease -in:file:s p53MDM2added2aaCterminal_0001_0149.pdb -in:file:movemap mapmover -FloppyTail::perturb_temp 0.8 -FloppyTail::perturb_cycles 100 -FloppyTail::refine_temp 0.8 -FloppyTail::refine_cycles 100 -FloppyTail::refine_repack_cycles 30 -use_input_sc -ex1 -ex2 -out:pdb -resfile resfile2 -nstruct 8 core.init: (0) 'RNG device' seed mode, using '/dev/urandom', seed=-1969830130 seed_offset=0 real_seed=-1969830130 core.init.random: (0) RandomGenerator:init: Normal mode, seed=-1969830130 RG_type=mt19937 core.init: (0) Resolved executable path: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/source/build/src/release/linux/3.19/64/x86/gcc/4.8/mpi/FloppyTail.mpi.linuxgccrelease core.init: (0) Looking for database based on location of executable: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/database/ protocols.jd2.PDBJobInputter: (0) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (0) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (0) pushed p53MDM2added2aaCterminal_0001_0149.pdb nstruct indices 1 - 8 protocols.evaluation.ChiWellRmsdEvaluatorCreator: (0) Evaluation Creator active ... basic.io.database: (0) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt core.init: (7) Rosetta version exported from http://www.rosettacommons.org core.init: (7) command: FloppyTail.mpi.linuxgccrelease -in:file:s p53MDM2added2aaCterminal_0001_0149.pdb -in:file:movemap mapmover -FloppyTail::perturb_temp 0.8 -FloppyTail::perturb_cycles 100 -FloppyTail::refine_temp 0.8 -FloppyTail::refine_cycles 100 -FloppyTail::refine_repack_cycles 30 -use_input_sc -ex1 -ex2 -out:pdb -resfile resfile2 -nstruct 8 core.init: (1) Rosetta version exported from http://www.rosettacommons.org core.init: (1) command: FloppyTail.mpi.linuxgccrelease -in:file:s p53MDM2added2aaCterminal_0001_0149.pdb -in:file:movemap mapmover -FloppyTail::perturb_temp 0.8 -FloppyTail::perturb_cycles 100 -FloppyTail::refine_temp 0.8 -FloppyTail::refine_cycles 100 -FloppyTail::refine_repack_cycles 30 -use_input_sc -ex1 -ex2 -out:pdb -resfile resfile2 -nstruct 8 core.init: (2) Rosetta version exported from http://www.rosettacommons.org core.init: (2) command: FloppyTail.mpi.linuxgccrelease -in:file:s p53MDM2added2aaCterminal_0001_0149.pdb -in:file:movemap mapmover -FloppyTail::perturb_temp 0.8 -FloppyTail::perturb_cycles 100 -FloppyTail::refine_temp 0.8 -FloppyTail::refine_cycles 100 -FloppyTail::refine_repack_cycles 30 -use_input_sc -ex1 -ex2 -out:pdb -resfile resfile2 -nstruct 8 basic.io.database: (0) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (0) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt core.init: (6) Rosetta version exported from http://www.rosettacommons.org core.init: (6) command: FloppyTail.mpi.linuxgccrelease -in:file:s p53MDM2added2aaCterminal_0001_0149.pdb -in:file:movemap mapmover -FloppyTail::perturb_temp 0.8 -FloppyTail::perturb_cycles 100 -FloppyTail::refine_temp 0.8 -FloppyTail::refine_cycles 100 -FloppyTail::refine_repack_cycles 30 -use_input_sc -ex1 -ex2 -out:pdb -resfile resfile2 -nstruct 8 basic.io.database: (0) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: (0) Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 core.init: (1) 'RNG device' seed mode, using '/dev/urandom', seed=-1379419849 seed_offset=0 real_seed=-1969830129 core.init.random: (1) RandomGenerator:init: Normal mode, seed=-1969830129 RG_type=mt19937 core.init: (2) 'RNG device' seed mode, using '/dev/urandom', seed=-1438739562 seed_offset=0 real_seed=-1969830128 core.init.random: (2) RandomGenerator:init: Normal mode, seed=-1969830128 RG_type=mt19937 core.init: (3) 'RNG device' seed mode, using '/dev/urandom', seed=-484363813 seed_offset=0 real_seed=-1969830127 core.init.random: (3) RandomGenerator:init: Normal mode, seed=-1969830127 RG_type=mt19937 core.init: (7) 'RNG device' seed mode, using '/dev/urandom', seed=-783891451 seed_offset=0 real_seed=-1969830123 core.init.random: (7) RandomGenerator:init: Normal mode, seed=-1969830123 RG_type=mt19937 core.init: (1) Resolved executable path: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/source/build/src/release/linux/3.19/64/x86/gcc/4.8/mpi/FloppyTail.mpi.linuxgccrelease core.init: (2) Resolved executable path: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/source/build/src/release/linux/3.19/64/x86/gcc/4.8/mpi/FloppyTail.mpi.linuxgccrelease core.init: (3) Resolved executable path: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/source/build/src/release/linux/3.19/64/x86/gcc/4.8/mpi/FloppyTail.mpi.linuxgccrelease core.init: (3) Looking for database based on location of executable: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/database/ core.init: (1) Looking for database based on location of executable: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/database/ core.init: (2) Looking for database based on location of executable: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/database/ core.init: (7) Resolved executable path: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/source/build/src/release/linux/3.19/64/x86/gcc/4.8/mpi/FloppyTail.mpi.linuxgccrelease core.init: (7) Looking for database based on location of executable: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/database/ protocols.jd2.PDBJobInputter: (3) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (1) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (2) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (3) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (1) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (2) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (7) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (7) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (7) pushed p53MDM2added2aaCterminal_0001_0149.pdb nstruct indices 1 - 8 protocols.jd2.PDBJobInputter: (2) pushed p53MDM2added2aaCterminal_0001_0149.pdb nstruct indices 1 - 8 protocols.jd2.PDBJobInputter: (1) pushed p53MDM2added2aaCterminal_0001_0149.pdb nstruct indices 1 - 8 protocols.jd2.PDBJobInputter: (3) pushed p53MDM2added2aaCterminal_0001_0149.pdb nstruct indices 1 - 8 protocols.evaluation.ChiWellRmsdEvaluatorCreator: (7) Evaluation Creator active ... protocols.evaluation.ChiWellRmsdEvaluatorCreator: (2) Evaluation Creator active ... protocols.evaluation.ChiWellRmsdEvaluatorCreator: (1) Evaluation Creator active ... protocols.evaluation.ChiWellRmsdEvaluatorCreator: (3) Evaluation Creator active ... core.init: (6) 'RNG device' seed mode, using '/dev/urandom', seed=1379455488 seed_offset=0 real_seed=-1969830124 core.init.random: (6) RandomGenerator:init: Normal mode, seed=-1969830124 RG_type=mt19937 core.init: (6) Resolved executable path: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/source/build/src/release/linux/3.19/64/x86/gcc/4.8/mpi/FloppyTail.mpi.linuxgccrelease core.init: (6) Looking for database based on location of executable: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/database/ protocols.jd2.PDBJobInputter: (6) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (6) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (6) pushed p53MDM2added2aaCterminal_0001_0149.pdb nstruct indices 1 - 8 basic.io.database: (2) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (1) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (7) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (3) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt protocols.evaluation.ChiWellRmsdEvaluatorCreator: (6) Evaluation Creator active ... basic.io.database: (6) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (7) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (3) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (2) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (1) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (7) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (3) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (2) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (1) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (6) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (6) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (7) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: (3) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: (1) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: (2) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: (6) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: (7) Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 basic.io.database: (3) Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 core.init: (5) Rosetta version exported from http://www.rosettacommons.org basic.io.database: (1) Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 core.init: (5) command: FloppyTail.mpi.linuxgccrelease -in:file:s p53MDM2added2aaCterminal_0001_0149.pdb -in:file:movemap mapmover -FloppyTail::perturb_temp 0.8 -FloppyTail::perturb_cycles 100 -FloppyTail::refine_temp 0.8 -FloppyTail::refine_cycles 100 -FloppyTail::refine_repack_cycles 30 -use_input_sc -ex1 -ex2 -out:pdb -resfile resfile2 -nstruct 8 basic.io.database: (2) Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 basic.io.database: (6) Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 core.init: (4) Rosetta version exported from http://www.rosettacommons.org core.init: (4) command: FloppyTail.mpi.linuxgccrelease -in:file:s p53MDM2added2aaCterminal_0001_0149.pdb -in:file:movemap mapmover -FloppyTail::perturb_temp 0.8 -FloppyTail::perturb_cycles 100 -FloppyTail::refine_temp 0.8 -FloppyTail::refine_cycles 100 -FloppyTail::refine_repack_cycles 30 -use_input_sc -ex1 -ex2 -out:pdb -resfile resfile2 -nstruct 8 core.init: (4) 'RNG device' seed mode, using '/dev/urandom', seed=1358293680 seed_offset=0 real_seed=-1969830126 core.init.random: (4) RandomGenerator:init: Normal mode, seed=-1969830126 RG_type=mt19937 core.init: (4) Resolved executable path: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/source/build/src/release/linux/3.19/64/x86/gcc/4.8/mpi/FloppyTail.mpi.linuxgccrelease core.init: (4) Looking for database based on location of executable: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/database/ protocols.jd2.PDBJobInputter: (4) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (4) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (4) pushed p53MDM2added2aaCterminal_0001_0149.pdb nstruct indices 1 - 8 protocols.evaluation.ChiWellRmsdEvaluatorCreator: (4) Evaluation Creator active ... basic.io.database: (4) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (4) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (4) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (4) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt core.init: (5) 'RNG device' seed mode, using '/dev/urandom', seed=649450280 seed_offset=0 real_seed=-1969830125 core.init.random: (5) RandomGenerator:init: Normal mode, seed=-1969830125 RG_type=mt19937 core.init: (5) Resolved executable path: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/source/build/src/release/linux/3.19/64/x86/gcc/4.8/mpi/FloppyTail.mpi.linuxgccrelease core.init: (5) Looking for database based on location of executable: /home/simu/Documents/rosetta_bin_linux_2015.38.58158_bundle/main/database/ protocols.jd2.PDBJobInputter: (5) Instantiate PDBJobInputter protocols.jd2.PDBJobInputter: (5) PDBJobInputter::fill_jobs protocols.jd2.PDBJobInputter: (5) pushed p53MDM2added2aaCterminal_0001_0149.pdb nstruct indices 1 - 8 protocols.evaluation.ChiWellRmsdEvaluatorCreator: (5) Evaluation Creator active ... basic.io.database: (5) Database file opened: scoring/score_functions/EnvPairPotential/env_log.txt basic.io.database: (5) Database file opened: scoring/score_functions/EnvPairPotential/cbeta_den.txt basic.io.database: (5) Database file opened: scoring/score_functions/EnvPairPotential/pair_log.txt basic.io.database: (5) Database file opened: scoring/score_functions/EnvPairPotential/cenpack_log.txt basic.io.database: (5) Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 basic.io.database: (4) Database file opened: scoring/score_functions/rama/Rama_smooth_dyn.dat_ss_6.4 basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: (0) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv protocols.floppy_tail.FloppyTail: (0) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_no_dis_dep_die: false basic.io.database: (3) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (0) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (0) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (0) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (0) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (0) SCOREFUNCTION: talaris2013 basic.io.database: (3) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: (3) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv protocols.floppy_tail.FloppyTail: (3) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (3) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (3) SCOREFUNCTION: talaris2013 basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: (2) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv basic.io.database: (1) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv core.scoring.etable: (0) Starting energy table calculation core.scoring.etable: (0) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (0) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (0) smooth_etable: spline smoothing solvation etables (max_dis = 6) basic.io.database: (2) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: (2) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv basic.io.database: (7) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv protocols.floppy_tail.FloppyTail: (1) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (1) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (1) SCOREFUNCTION: talaris2013 core.scoring.etable: (3) Starting energy table calculation basic.io.database: (7) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: (7) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv core.scoring.etable: (3) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (3) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (3) smooth_etable: spline smoothing solvation etables (max_dis = 6) basic.io.database: (5) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv protocols.floppy_tail.FloppyTail: (2) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (2) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (2) SCOREFUNCTION: talaris2013 basic.io.database: (5) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: (5) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv basic.io.database: (4) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv protocols.floppy_tail.FloppyTail: (7) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (7) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (7) SCOREFUNCTION: talaris2013 core.scoring.etable: (1) Starting energy table calculation core.scoring.etable: (1) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (1) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (1) smooth_etable: spline smoothing solvation etables (max_dis = 6) basic.io.database: (4) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: (4) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv core.scoring.etable: (2) Starting energy table calculation protocols.floppy_tail.FloppyTail: (5) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (5) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (5) SCOREFUNCTION: talaris2013 core.scoring.etable: (2) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (2) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (2) smooth_etable: spline smoothing solvation etables (max_dis = 6) basic.io.database: (6) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBPoly1D.csv core.scoring.etable: (7) Starting energy table calculation protocols.floppy_tail.FloppyTail: (4) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (4) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 core.scoring.etable: (7) smooth_etable: changing atr/rep split to bottom of energy well protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 core.scoring.etable: (7) smooth_etable: spline smoothing lj etables (maxdis = 6) protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (4) SCOREFUNCTION: talaris2013 core.scoring.etable: (7) smooth_etable: spline smoothing solvation etables (max_dis = 6) basic.io.database: (6) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBFadeIntervals.csv basic.io.database: (6) Database file opened: scoring/score_functions/hbonds/sp2_elec_params/HBEval.csv core.scoring.etable: (5) Starting energy table calculation core.scoring.etable: (5) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (5) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (5) smooth_etable: spline smoothing solvation etables (max_dis = 6) protocols.floppy_tail.FloppyTail: (6) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (6) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (6) SCOREFUNCTION: talaris2013 core.scoring.etable: (4) Starting energy table calculation core.scoring.etable: (4) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (4) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (4) smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: (6) Starting energy table calculation core.scoring.etable: (6) smooth_etable: changing atr/rep split to bottom of energy well core.scoring.etable: (6) smooth_etable: spline smoothing lj etables (maxdis = 6) core.scoring.etable: (6) smooth_etable: spline smoothing solvation etables (max_dis = 6) core.scoring.etable: (0) Finished calculating energy tables. basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n core.scoring.etable: (3) Finished calculating energy tables. basic.io.database: (3) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (3) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n basic.io.database: (0) Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp basic.io.database: (3) Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp core.scoring.etable: (1) Finished calculating energy tables. basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n basic.io.database: (1) Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp core.scoring.etable: (2) Finished calculating energy tables. basic.io.database: (2) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (2) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n basic.io.database: (2) Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp core.scoring.etable: (7) Finished calculating energy tables. basic.io.database: (7) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (7) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n basic.io.database: (7) Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp core.scoring.etable: (5) Finished calculating energy tables. basic.io.database: (5) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (5) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n basic.io.database: (5) Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp core.scoring.etable: (4) Finished calculating energy tables. basic.io.database: (4) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (4) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n basic.io.database: (4) Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp core.scoring.etable: (6) Finished calculating energy tables. basic.io.database: (6) Database file opened: scoring/score_functions/P_AA_pp/P_AA basic.io.database: (6) Database file opened: scoring/score_functions/P_AA_pp/P_AA_n basic.io.database: (6) Database file opened: scoring/score_functions/P_AA_pp/P_AA_pp protocols.floppy_tail.FloppyTail: (0) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (0) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (0) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (0) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (0) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (0) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (0) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (0) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 1 of 8 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.floppy_tail.FloppyTail: (5) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (5) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.jd2.MPIWorkPoolJobDistributor: (5) Slave Node 5: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 5 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 1 to node 5 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (5) Slave Node 5: Received job id 1 from master. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 2 of 8 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.PDBJobInputter: (5) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (5) filling pose from PDB p53MDM2added2aaCterminal_0001_0149.pdb protocols.floppy_tail.FloppyTail: (2) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (2) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 2 to node 2 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (2) Slave Node 2: Received job id 2 from master. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 3 of 8 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.PDBJobInputter: (2) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (2) filling pose from PDB p53MDM2added2aaCterminal_0001_0149.pdb protocols.floppy_tail.FloppyTail: (1) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (1) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 3 to node 1 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (1) Slave Node 1: Received job id 3 from master. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 4 of 8 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.PDBJobInputter: (1) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (1) filling pose from PDB p53MDM2added2aaCterminal_0001_0149.pdb protocols.floppy_tail.FloppyTail: (7) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (7) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.jd2.MPIWorkPoolJobDistributor: (7) Slave Node 7: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 7 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 4 to node 7 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (7) Slave Node 7: Received job id 4 from master. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 5 of 8 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.PDBJobInputter: (7) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (7) filling pose from PDB p53MDM2added2aaCterminal_0001_0149.pdb protocols.floppy_tail.FloppyTail: (3) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (3) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 5 to node 3 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (3) Slave Node 3: Received job id 5 from master. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 6 of 8 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.PDBJobInputter: (3) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (3) filling pose from PDB p53MDM2added2aaCterminal_0001_0149.pdb protocols.floppy_tail.FloppyTail: (4) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (4) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.jd2.MPIWorkPoolJobDistributor: (4) Slave Node 4: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 4 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 6 to node 4 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (4) Slave Node 4: Received job id 6 from master. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 7 of 8 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.PDBJobInputter: (4) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (4) filling pose from PDB p53MDM2added2aaCterminal_0001_0149.pdb protocols.floppy_tail.FloppyTail: (6) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (6) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.jd2.MPIWorkPoolJobDistributor: (6) Slave Node 6: Requesting new job id from master protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Received message from 6 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Sending new job id 7 to node 6 with tag 10 protocols.jd2.MPIWorkPoolJobDistributor: (6) Slave Node 6: Received job id 7 from master. protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Getting next job to assign from list id 8 of 8 protocols.jd2.MPIWorkPoolJobDistributor: (0) Master Node: Waiting for job requests... protocols.jd2.PDBJobInputter: (6) PDBJobInputter::pose_from_job protocols.jd2.PDBJobInputter: (6) filling pose from PDB p53MDM2added2aaCterminal_0001_0149.pdb core.chemical.ResidueTypeSet: (5) Finished initializing fa_standard residue type set. Created 36572 residue types core.chemical.ResidueTypeSet: (5) Total time to initialize 0.957962 seconds. core.chemical.ResidueTypeSet: (2) Finished initializing fa_standard residue type set. Created 36572 residue types core.chemical.ResidueTypeSet: (2) Total time to initialize 0.990593 seconds. core.chemical.ResidueTypeSet: (7) Finished initializing fa_standard residue type set. Created 36572 residue types core.chemical.ResidueTypeSet: (7) Total time to initialize 0.991749 seconds. core.chemical.ResidueTypeSet: (4) Finished initializing fa_standard residue type set. Created 36572 residue types core.chemical.ResidueTypeSet: (4) Total time to initialize 1.02228 seconds. core.chemical.ResidueTypeSet: (1) Finished initializing fa_standard residue type set. Created 36572 residue types core.chemical.ResidueTypeSet: (1) Total time to initialize 1.03729 seconds. core.chemical.ResidueTypeSet: (6) Finished initializing fa_standard residue type set. Created 36572 residue types core.chemical.ResidueTypeSet: (6) Total time to initialize 0.969545 seconds. protocols.floppy_tail.FloppyTail: (5) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (5) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (5) SCOREFUNCTION: talaris2013 protocols.floppy_tail.FloppyTail: (5) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (5) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (5) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (5) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (5) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (5) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (5) IGNC will compare group 1-100 with 96-100 protocols.floppy_tail.FloppyTail: (5) foldtree, movemap: protocols.floppy_tail.FloppyTail: (5) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (5) foldtree, movemap for first part of refine: protocols.floppy_tail.FloppyTail: (5) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (5) entering perturb steps protocols.floppy_tail.FloppyTail: (2) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (7) Using centroid scorefunction ScoreFunction::show(): protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: smooth_hb_env_dep: true weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: decompose_bb_hb_into_pair_energies: false EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (2) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_hbond: 0 core.scoring.ScoreFunctionFactory: (2) SCOREFUNCTION: talaris2013 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (7) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (2) Using fullatom scorefunction ScoreFunction::show(): core.scoring.ScoreFunctionFactory: (7) SCOREFUNCTION: talaris2013 weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (7) Using fullatom scorefunction protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: pb_bound_tag: bound ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (2) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_intra_res_protein_: true EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: put_intra_into_total_: false EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (2) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (2) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (2) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (2) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (7) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (7) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (7) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (7) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (2) IGNC will compare group 1-100 with 96-100 protocols.floppy_tail.FloppyTail: (7) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (7) IGNC will compare group 1-100 with 96-100 core.chemical.ResidueTypeSet: (5) Finished initializing centroid residue type set. Created 1834 residue types core.chemical.ResidueTypeSet: (5) Total time to initialize 0.044402 seconds. protocols.floppy_tail.FloppyTail: (2) foldtree, movemap: protocols.floppy_tail.FloppyTail: (2) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (2) foldtree, movemap for first part of refine: protocols.floppy_tail.FloppyTail: (2) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (7) foldtree, movemap: protocols.floppy_tail.FloppyTail: (7) protocols.floppy_tail.FloppyTail: (2) entering perturb steps 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (7) foldtree, movemap for first part of refine: protocols.floppy_tail.FloppyTail: (7) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (7) entering perturb steps core.chemical.ResidueTypeSet: (3) Finished initializing fa_standard residue type set. Created 36572 residue types core.chemical.ResidueTypeSet: (3) Total time to initialize 0.983353 seconds. protocols.floppy_tail.FloppyTail: (4) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: core.chemical.ResidueTypeSet: (7) Finished initializing centroid residue type set. Created 1834 residue types core.chemical.ResidueTypeSet: (7) Total time to initialize 0.042714 seconds. protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (4) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 core.chemical.ResidueTypeSet: (2) Finished initializing centroid residue type set. Created 1834 residue types protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.chemical.ResidueTypeSet: (2) Total time to initialize 0.042971 seconds. core.scoring.ScoreFunctionFactory: (4) SCOREFUNCTION: talaris2013 protocols.floppy_tail.FloppyTail: (4) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (4) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (4) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (4) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (4) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (4) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (4) IGNC will compare group 1-100 with 96-100 protocols.floppy_tail.FloppyTail: (4) foldtree, movemap: protocols.floppy_tail.FloppyTail: (4) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (4) foldtree, movemap for first part of refine: protocols.floppy_tail.FloppyTail: (4) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (4) entering perturb steps protocols.floppy_tail.FloppyTail: (1) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (1) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (1) SCOREFUNCTION: talaris2013 protocols.floppy_tail.FloppyTail: (1) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (1) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (1) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (1) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (1) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (1) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (1) IGNC will compare group 1-100 with 96-100 protocols.floppy_tail.FloppyTail: (1) foldtree, movemap: protocols.floppy_tail.FloppyTail: (1) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (1) foldtree, movemap for first part of refine: protocols.floppy_tail.FloppyTail: (1) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (1) entering perturb steps protocols.floppy_tail.FloppyTail: (5) centroid score of starting PDB: -62.5233 protocols.floppy_tail.FloppyTail: (5) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.000 0.000 cenpack 1.000 -7.056 -7.056 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.719 -14.719 rama 1.000 -11.493 -11.493 env 1.000 -30.766 -30.766 cbeta 1.000 35.761 35.761 --------------------------------------------------- Total weighted score: -62.523 protocols.floppy_tail.FloppyTail: (5) shear on at 33 protocols.floppy_tail.FloppyTail: (5) Current Low total cycles =100 protocols.floppy_tail.FloppyTail: (5) 1 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (5) 2 -61.0907 -62.5233 protocols.floppy_tail.FloppyTail: (5) 3 -61.3207 -62.5233 protocols.floppy_tail.FloppyTail: (5) 4 -61.3207 -62.5233 protocols.floppy_tail.FloppyTail: (6) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (6) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (6) SCOREFUNCTION: talaris2013 protocols.floppy_tail.FloppyTail: (5) 5 -61.3207 -62.5233 protocols.floppy_tail.FloppyTail: (6) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (6) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (6) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (6) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (6) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (6) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (6) IGNC will compare group 1-100 with 96-100 protocols.floppy_tail.FloppyTail: (5) 6 -61.2646 -62.5233 protocols.floppy_tail.FloppyTail: (6) foldtree, movemap: protocols.floppy_tail.FloppyTail: (6) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (6) foldtree, movemap for first part of refine: protocols.floppy_tail.FloppyTail: (6) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (6) entering perturb steps protocols.floppy_tail.FloppyTail: (5) 7 -62.1683 -62.5233 protocols.floppy_tail.FloppyTail: (5) 8 -62.1683 -62.5233 protocols.floppy_tail.FloppyTail: (5) 9 -62.1683 -62.5233 protocols.floppy_tail.FloppyTail: (5) 10 -61.1472 -62.5233 protocols.floppy_tail.FloppyTail: (5) 11 -61.1472 -62.5233 protocols.floppy_tail.FloppyTail: (5) 12 -61.1472 -62.5233 protocols.floppy_tail.FloppyTail: (5) 13 -61.1868 -62.5233 protocols.floppy_tail.FloppyTail: (5) 14 -61.1868 -62.5233 protocols.floppy_tail.FloppyTail: (5) 15 -60.9583 -62.5233 core.chemical.ResidueTypeSet: (4) Finished initializing centroid residue type set. Created 1834 residue types core.chemical.ResidueTypeSet: (4) Total time to initialize 0.047404 seconds. protocols.floppy_tail.FloppyTail: (5) 16 -61.1139 -62.5233 protocols.floppy_tail.FloppyTail: (5) 17 -61.1139 -62.5233 core.chemical.ResidueTypeSet: (1) Finished initializing centroid residue type set. Created 1834 residue types core.chemical.ResidueTypeSet: (1) Total time to initialize 0.047282 seconds. protocols.floppy_tail.FloppyTail: (5) 18 -61.1139 -62.5233 protocols.floppy_tail.FloppyTail: (5) 19 -60.0547 -62.5233 protocols.floppy_tail.FloppyTail: (2) centroid score of starting PDB: -62.5233 protocols.floppy_tail.FloppyTail: (7) centroid score of starting PDB: -62.5233 protocols.floppy_tail.FloppyTail: (2) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.000 0.000 cenpack 1.000 -7.056 -7.056 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.719 -14.719 rama 1.000 -11.493 -11.493 env 1.000 -30.766 -30.766 cbeta 1.000 35.761 35.761 --------------------------------------------------- Total weighted score: -62.523 protocols.floppy_tail.FloppyTail: (7) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.000 0.000 cenpack 1.000 -7.056 -7.056 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.719 -14.719 rama 1.000 -11.493 -11.493 env 1.000 -30.766 -30.766 cbeta 1.000 35.761 35.761 --------------------------------------------------- Total weighted score: -62.523 protocols.floppy_tail.FloppyTail: (7) shear on at 33 protocols.floppy_tail.FloppyTail: (7) Current Low total cycles =100 protocols.floppy_tail.FloppyTail: (2) shear on at 33 protocols.floppy_tail.FloppyTail: (2) Current Low total cycles =100 protocols.floppy_tail.FloppyTail: (2) 1 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (7) 1 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (2) 2 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (7) 2 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (2) 3 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (7) 3 -62.4783 -62.5233 protocols.floppy_tail.FloppyTail: (7) 4 -62.4783 -62.5233 protocols.floppy_tail.FloppyTail: (2) 4 -62.5233 -62.5233 core.chemical.ResidueTypeSet: (6) Finished initializing centroid residue type set. Created 1834 residue types core.chemical.ResidueTypeSet: (6) Total time to initialize 0.044086 seconds. protocols.floppy_tail.FloppyTail: (7) 5 -61.3727 -62.5233 protocols.floppy_tail.FloppyTail: (2) 5 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (7) 6 -61.3727 -62.5233 protocols.floppy_tail.FloppyTail: (2) 6 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (5) 20 -61.1812 -62.5233 protocols.floppy_tail.FloppyTail: (2) 7 -61.4262 -62.5233 protocols.floppy_tail.FloppyTail: (5) 21 -60.8813 -62.5233 protocols.floppy_tail.FloppyTail: (7) 7 -61.3727 -62.5233 protocols.floppy_tail.FloppyTail: (2) 8 -61.7954 -62.5233 protocols.floppy_tail.FloppyTail: (7) 8 -61.3727 -62.5233 protocols.floppy_tail.FloppyTail: (5) 22 -62.6238 -62.6238 protocols.floppy_tail.FloppyTail: (2) 9 -61.1919 -62.5233 protocols.floppy_tail.FloppyTail: (7) 9 -60.8957 -62.5233 protocols.floppy_tail.FloppyTail: (5) 23 -62.6238 -62.6238 protocols.floppy_tail.FloppyTail: (2) 10 -61.1919 -62.5233 protocols.floppy_tail.FloppyTail: (7) 10 -60.8957 -62.5233 protocols.floppy_tail.FloppyTail: (5) 24 -62.6238 -62.6238 protocols.floppy_tail.FloppyTail: (7) 11 -60.9684 -62.5233 protocols.floppy_tail.FloppyTail: (2) 11 -61.1919 -62.5233 protocols.floppy_tail.FloppyTail: (5) 25 -62.6238 -62.6238 protocols.floppy_tail.FloppyTail: (2) 12 -61.1919 -62.5233 protocols.floppy_tail.FloppyTail: (7) 12 -60.9295 -62.5233 protocols.floppy_tail.FloppyTail: (5) 26 -62.0132 -62.6238 protocols.floppy_tail.FloppyTail: (2) 13 -61.1964 -62.5233 protocols.floppy_tail.FloppyTail: (7) 13 -59.8502 -62.5233 protocols.floppy_tail.FloppyTail: (5) 27 -62.0132 -62.6238 protocols.floppy_tail.FloppyTail: (2) 14 -61.1343 -62.5233 protocols.floppy_tail.FloppyTail: (7) 14 -59.8502 -62.5233 protocols.floppy_tail.FloppyTail: (5) 28 -63.8105 -63.8105 protocols.floppy_tail.FloppyTail: (2) 15 -61.7461 -62.5233 protocols.floppy_tail.FloppyTail: (7) 15 -61.1488 -62.5233 protocols.floppy_tail.FloppyTail: (5) 29 -63.8105 -63.8105 protocols.floppy_tail.FloppyTail: (2) 16 -61.7461 -62.5233 protocols.floppy_tail.FloppyTail: (7) 16 -61.1488 -62.5233 protocols.floppy_tail.FloppyTail: (2) 17 -62.1651 -62.5233 protocols.floppy_tail.FloppyTail: (7) 17 -61.2216 -62.5233 protocols.floppy_tail.FloppyTail: (5) 30 -63.8269 -63.8269 protocols.floppy_tail.FloppyTail: (7) 18 -61.0711 -62.5233 protocols.floppy_tail.FloppyTail: (2) 18 -61.6033 -62.5233 protocols.floppy_tail.FloppyTail: (5) 31 -63.9062 -63.9062 protocols.floppy_tail.FloppyTail: (7) 19 -60.9773 -62.5233 protocols.floppy_tail.FloppyTail: (2) 19 -62.5449 -62.5449 protocols.floppy_tail.FloppyTail: (5) 32 -63.9953 -63.9953 protocols.floppy_tail.FloppyTail: (5) 33 -63.6685 -63.9953 protocols.floppy_tail.FloppyTail: (5) 34 -63.6685 -63.9953 protocols.floppy_tail.FloppyTail: (5) 35 -63.7725 -63.9953 protocols.floppy_tail.FloppyTail: (5) 36 -63.7725 -63.9953 protocols.floppy_tail.FloppyTail: (5) 37 -63.7725 -63.9953 protocols.floppy_tail.FloppyTail: (5) 38 -63.6261 -63.9953 protocols.floppy_tail.FloppyTail: (5) 39 -63.3898 -63.9953 protocols.floppy_tail.FloppyTail: (2) 20 -62.5978 -62.5978 protocols.floppy_tail.FloppyTail: (4) centroid score of starting PDB: -62.5233 protocols.floppy_tail.FloppyTail: (2) 21 -63.5574 -63.5574 protocols.floppy_tail.FloppyTail: (3) Using centroid scorefunction ScoreFunction::show(): weights: (vdw 1) (cenpack 1) (hbond_sr_bb 1) (hbond_lr_bb 1) (pair 1) (rama 1) (env 1) (cbeta 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (3) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_side_chain_bonus: -0.5 core.scoring.ScoreFunctionFactory: (3) SCOREFUNCTION: talaris2013 protocols.floppy_tail.FloppyTail: (4) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.000 0.000 cenpack 1.000 -7.056 -7.056 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.719 -14.719 rama 1.000 -11.493 -11.493 env 1.000 -30.766 -30.766 cbeta 1.000 35.761 35.761 --------------------------------------------------- Total weighted score: -62.523 protocols.floppy_tail.FloppyTail: (3) Using fullatom scorefunction ScoreFunction::show(): weights: (fa_atr 0.8) (fa_rep 0.44) (fa_sol 0.75) (fa_intra_rep 0.004) (fa_elec 0.7) (pro_close 1) (hbond_sr_bb 1.17) (hbond_lr_bb 1.17) (hbond_bb_sc 1.17) (hbond_sc 1.1) (dslf_fa13 1) (rama 0.2) (omega 0.5) (fa_dun 0.56) (p_aa_pp 0.32) (ref 1) energy_method_options: EnergyMethodOptions::show: etable_type: FA_STANDARD_DEFAULT analytic_etable_evaluation: 1 EnergyMethodOptions::show: method_weights: ref 0.592942 0.354993 -1.28682 -1.55374 0.43057 0.140526 0.357498 0.831803 -0.287374 0.602328 0.158677 -0.94198 -0.219285 -1.17797 -0.14916 0.176583 0.16454 0.744844 0.92933 0.131696 EnergyMethodOptions::show: method_weights: free_res EnergyMethodOptions::show: unfolded_energies_type: UNFOLDED_SCORE12 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: split_unfolded_label_type: SPLIT_UNFOLDED_MM protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: split_unfolded_value_type: SPLIT_UNFOLDED_BOLTZ protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: atom_vdw_atom_type_set_name: centroid protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_protein_protein_fa_elec: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_monomer_fa_elec: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_max_dis: 5.5 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_min_dis: 1.6 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_die: 10 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_no_dis_dep_die: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_die: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_D: 78 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_D0: 2 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_sigmoidal_S: 0.36 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: smooth_fa_elec: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_type: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_param1: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_param2: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_fade_hbond: 0 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grp_cpfxn: 1 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: elec_group_file: /scoring/score_functions/elec_group_def.dat protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: grpelec_context_dependent: 0 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: use_polarization: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: use_gen_kirkwood: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: exclude_intra_res_protein: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: put_intra_into_total: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: geom_sol_interres_path_distance_cutoff: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: geom_sol_intrares_path_distance_cutoff: true protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: envsmooth_zero_negatives: false protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: cst_max_seq_sep: 18446744073709551615 protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: pb_bound_tag: bound protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: pb_unbound_tag: unbound protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: bond_angle_central_atoms_to_score: protocols.floppy_tail.FloppyTail: (3) EnergyMethodOptions::show: bond_angle_residue_type_param_set: none protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_DNA_DNA: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_intra_res_protein_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_intra_res_RNA_: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: put_intra_into_total_: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: exclude_self_hbonds: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_hb_env_dep: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_hb_env_dep_DNA: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: smooth_hb_env_dep: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: bb_donor_acceptor_check: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: decompose_bb_hb_into_pair_energies: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: params_database_tag_: sp2_elec_params protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: use_sp2_chi_penalty_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: sp2_BAH180_rise_: 0.75 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: sp2_outer_width_: 0.357 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: measure_sp3acc_BAH_from_hvy_: true protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: fade_energy_: 1 protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: Mbhbond: false protocols.floppy_tail.FloppyTail: (3) HbondOptions::show: mphbond: false protocols.floppy_tail.FloppyTail: (3) HBondOptions::show: hbond_energy_shift: 0 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: syn_G_potential_bonus: 0 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: torsion_potential: ps_04282011 protocols.floppy_tail.FloppyTail: (3) RNA_EnergyMethodOptions::show: suiteness_bonus: Richardson protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_suite_bonus: -1 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_2HOprime_bonus: -0.5 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_sugar_bonus: -1 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: pack_phosphate_penalty: 0.25 protocols.floppy_tail.FloppyTail: (3) FreeDOF_Options::show: free_side_chain_bonus: -0.5 protocols.floppy_tail.FloppyTail: (3) IGNC will compare group 1-100 with 96-100 protocols.floppy_tail.FloppyTail: (2) 22 -65.1707 -65.1707 protocols.floppy_tail.FloppyTail: (1) centroid score of starting PDB: -62.5233 protocols.floppy_tail.FloppyTail: (4) shear on at 33 protocols.floppy_tail.FloppyTail: (4) Current Low total cycles =100 protocols.floppy_tail.FloppyTail: (7) 20 -62.5524 -62.5524 protocols.floppy_tail.FloppyTail: (2) 23 -65.1707 -65.1707 protocols.floppy_tail.FloppyTail: (3) foldtree, movemap: protocols.floppy_tail.FloppyTail: (3) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (3) foldtree, movemap for first part of refine: protocols.floppy_tail.FloppyTail: (3) 1***********************************************************************************C1*************C xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx***** protocols.floppy_tail.FloppyTail: (3) entering perturb steps protocols.floppy_tail.FloppyTail: (1) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.000 0.000 cenpack 1.000 -7.056 -7.056 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.719 -14.719 rama 1.000 -11.493 -11.493 env 1.000 -30.766 -30.766 cbeta 1.000 35.761 35.761 --------------------------------------------------- Total weighted score: -62.523 protocols.floppy_tail.FloppyTail: (7) 21 -62.5524 -62.5524 protocols.floppy_tail.FloppyTail: (2) 24 -65.1707 -65.1707 protocols.floppy_tail.FloppyTail: (4) 1 -61.6327 -62.5233 protocols.floppy_tail.FloppyTail: (5) 40 -63.3992 -63.9953 protocols.floppy_tail.FloppyTail: (2) 25 -65.1707 -65.1707 protocols.floppy_tail.FloppyTail: (7) 22 -63.6195 -63.6195 protocols.floppy_tail.FloppyTail: (5) 41 -63.3992 -63.9953 protocols.floppy_tail.FloppyTail: (4) 2 -61.6327 -62.5233 protocols.floppy_tail.FloppyTail: (1) shear on at 33 protocols.floppy_tail.FloppyTail: (1) Current Low total cycles =100 protocols.floppy_tail.FloppyTail: (2) 26 -65.1707 -65.1707 protocols.floppy_tail.FloppyTail: (7) 23 -63.6195 -63.6195 protocols.floppy_tail.FloppyTail: (5) 42 -63.389 -63.9953 protocols.floppy_tail.FloppyTail: (4) 3 -61.6327 -62.5233 protocols.floppy_tail.FloppyTail: (2) 27 -65.1707 -65.1707 protocols.floppy_tail.FloppyTail: (1) 1 -61.1734 -62.5233 protocols.floppy_tail.FloppyTail: (6) centroid score of starting PDB: -62.5233 protocols.floppy_tail.FloppyTail: (5) 43 -63.4747 -63.9953 protocols.floppy_tail.FloppyTail: (7) 24 -65.5591 -65.5591 protocols.floppy_tail.FloppyTail: (6) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.000 0.000 cenpack 1.000 -7.056 -7.056 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.719 -14.719 rama 1.000 -11.493 -11.493 env 1.000 -30.766 -30.766 cbeta 1.000 35.761 35.761 --------------------------------------------------- Total weighted score: -62.523 protocols.floppy_tail.FloppyTail: (4) 4 -61.6327 -62.5233 protocols.floppy_tail.FloppyTail: (2) 28 -65.4085 -65.4085 protocols.floppy_tail.FloppyTail: (5) 44 -63.4747 -63.9953 protocols.floppy_tail.FloppyTail: (7) 25 -65.5591 -65.5591 protocols.floppy_tail.FloppyTail: (1) 2 -63.5872 -63.5872 protocols.floppy_tail.FloppyTail: (5) 45 -63.4747 -63.9953 protocols.floppy_tail.FloppyTail: (6) shear on at 33 protocols.floppy_tail.FloppyTail: (6) Current Low total cycles =100 protocols.floppy_tail.FloppyTail: (7) 26 -65.5591 -65.5591 protocols.floppy_tail.FloppyTail: (4) 5 -61.6327 -62.5233 protocols.floppy_tail.FloppyTail: (2) 29 -66.4699 -66.4699 protocols.floppy_tail.FloppyTail: (5) 46 -63.4518 -63.9953 protocols.floppy_tail.FloppyTail: (6) 1 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (1) 3 -63.5872 -63.5872 protocols.floppy_tail.FloppyTail: (2) 30 -66.4699 -66.4699 protocols.floppy_tail.FloppyTail: (7) 27 -65.5591 -65.5591 protocols.floppy_tail.FloppyTail: (6) 2 -61.6247 -62.5233 protocols.floppy_tail.FloppyTail: (5) 47 -63.4872 -63.9953 protocols.floppy_tail.FloppyTail: (4) 6 -63.3287 -63.3287 protocols.floppy_tail.FloppyTail: (7) 28 -65.5591 -65.5591 protocols.floppy_tail.FloppyTail: (1) 4 -63.5872 -63.5872 protocols.floppy_tail.FloppyTail: (2) 31 -68.4036 -68.4036 protocols.floppy_tail.FloppyTail: (6) 3 -61.6247 -62.5233 protocols.floppy_tail.FloppyTail: (5) 48 -63.4318 -63.9953 protocols.floppy_tail.FloppyTail: (2) 32 -68.1916 -68.4036 protocols.floppy_tail.FloppyTail: (7) 29 -65.7663 -65.7663 protocols.floppy_tail.FloppyTail: (4) 7 -62.8539 -63.3287 protocols.floppy_tail.FloppyTail: (6) 4 -61.6247 -62.5233 protocols.floppy_tail.FloppyTail: (5) 49 -66.1991 -66.1991 protocols.floppy_tail.FloppyTail: (1) 5 -64.5195 -64.5195 protocols.floppy_tail.FloppyTail: (7) 30 -65.7663 -65.7663 protocols.floppy_tail.FloppyTail: (2) 33 -68.1916 -68.4036 protocols.floppy_tail.FloppyTail: (4) 8 -62.8539 -63.3287 protocols.floppy_tail.FloppyTail: (5) 50 -66.1991 -66.1991 protocols.floppy_tail.FloppyTail: (6) 5 -63.0373 -63.0373 protocols.floppy_tail.FloppyTail: (1) 6 -64.5195 -64.5195 protocols.floppy_tail.FloppyTail: (2) 34 -67.9539 -68.4036 protocols.floppy_tail.FloppyTail: (7) 31 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (6) 6 -63.0373 -63.0373 protocols.floppy_tail.FloppyTail: (5) 51 -65.7939 -66.1991 protocols.floppy_tail.FloppyTail: (4) 9 -62.8172 -63.3287 protocols.floppy_tail.FloppyTail: (2) 35 -67.9539 -68.4036 protocols.floppy_tail.FloppyTail: (7) 32 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (1) 7 -64.5195 -64.5195 protocols.floppy_tail.FloppyTail: (5) 52 -65.4097 -66.1991 protocols.floppy_tail.FloppyTail: (6) 7 -62.3814 -63.0373 protocols.floppy_tail.FloppyTail: (2) 36 -67.9539 -68.4036 protocols.floppy_tail.FloppyTail: (4) 10 -62.824 -63.3287 protocols.floppy_tail.FloppyTail: (7) 33 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (6) 8 -62.3814 -63.0373 protocols.floppy_tail.FloppyTail: (5) 53 -65.4097 -66.1991 protocols.floppy_tail.FloppyTail: (2) 37 -68.3958 -68.4036 protocols.floppy_tail.FloppyTail: (1) 8 -64.8501 -64.8501 protocols.floppy_tail.FloppyTail: (7) 34 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (6) 9 -62.3814 -63.0373 protocols.floppy_tail.FloppyTail: (5) 54 -65.477 -66.1991 protocols.floppy_tail.FloppyTail: (4) 11 -62.1551 -63.3287 protocols.floppy_tail.FloppyTail: (2) 38 -68.1769 -68.4036 protocols.floppy_tail.FloppyTail: (7) 35 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (5) 55 -65.9157 -66.1991 protocols.floppy_tail.FloppyTail: (1) 9 -64.8501 -64.8501 protocols.floppy_tail.FloppyTail: (4) 12 -62.9517 -63.3287 protocols.floppy_tail.FloppyTail: (2) 39 -68.5107 -68.5107 protocols.floppy_tail.FloppyTail: (6) 10 -64.9834 -64.9834 protocols.floppy_tail.FloppyTail: (7) 36 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (5) 56 -65.9157 -66.1991 protocols.floppy_tail.FloppyTail: (1) 10 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (7) 37 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (6) 11 -64.9834 -64.9834 protocols.floppy_tail.FloppyTail: (5) 57 -65.7766 -66.1991 protocols.floppy_tail.FloppyTail: (4) 13 -64.7135 -64.7135 protocols.floppy_tail.FloppyTail: (6) 12 -64.9834 -64.9834 protocols.floppy_tail.FloppyTail: (7) 38 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (1) 11 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (5) 58 -65.6567 -66.1991 protocols.floppy_tail.FloppyTail: (4) 14 -63.8451 -64.7135 protocols.floppy_tail.FloppyTail: (6) 13 -64.9834 -64.9834 protocols.floppy_tail.FloppyTail: (7) 39 -68.4352 -68.4352 protocols.floppy_tail.FloppyTail: (5) 59 -65.6567 -66.1991 protocols.floppy_tail.FloppyTail: (1) 12 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (6) 14 -64.7334 -64.9834 protocols.floppy_tail.FloppyTail: (4) 15 -63.8451 -64.7135 protocols.floppy_tail.FloppyTail: (6) 15 -64.7334 -64.9834 protocols.floppy_tail.FloppyTail: (1) 13 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (4) 16 -63.9864 -64.7135 protocols.floppy_tail.FloppyTail: (6) 16 -64.7334 -64.9834 protocols.floppy_tail.FloppyTail: (1) 14 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (6) 17 -64.7334 -64.9834 protocols.floppy_tail.FloppyTail: (4) 17 -63.9864 -64.7135 protocols.floppy_tail.FloppyTail: (2) 40 -68.5117 -68.5117 protocols.floppy_tail.FloppyTail: (1) 15 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (6) 18 -64.7334 -64.9834 protocols.floppy_tail.FloppyTail: (2) 41 -68.3914 -68.5117 protocols.floppy_tail.FloppyTail: (4) 18 -63.9864 -64.7135 core.chemical.ResidueTypeSet: (3) Finished initializing centroid residue type set. Created 1834 residue types core.chemical.ResidueTypeSet: (3) Total time to initialize 0.052467 seconds. protocols.floppy_tail.FloppyTail: (1) 16 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (6) 19 -64.7334 -64.9834 protocols.floppy_tail.FloppyTail: (2) 42 -68.3914 -68.5117 protocols.floppy_tail.FloppyTail: (4) 19 -62.8677 -64.7135 protocols.floppy_tail.FloppyTail: (1) 17 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (5) 60 -66.1029 -66.1991 protocols.floppy_tail.FloppyTail: (2) 43 -68.495 -68.5117 protocols.floppy_tail.FloppyTail: (7) 40 -68.6385 -68.6385 protocols.floppy_tail.FloppyTail: (5) 61 -65.3134 -66.1991 protocols.floppy_tail.FloppyTail: (2) 44 -68.495 -68.5117 protocols.floppy_tail.FloppyTail: (1) 18 -64.8465 -64.8501 protocols.floppy_tail.FloppyTail: (7) 41 -68.9033 -68.9033 protocols.floppy_tail.FloppyTail: (5) 62 -65.3134 -66.1991 protocols.floppy_tail.FloppyTail: (2) 45 -68.495 -68.5117 protocols.floppy_tail.FloppyTail: (1) 19 -64.8406 -64.8501 protocols.floppy_tail.FloppyTail: (7) 42 -68.9033 -68.9033 protocols.floppy_tail.FloppyTail: (5) 63 -65.2274 -66.1991 protocols.floppy_tail.FloppyTail: (2) 46 -68.495 -68.5117 protocols.floppy_tail.FloppyTail: (7) 43 -68.9033 -68.9033 protocols.floppy_tail.FloppyTail: (5) 64 -65.2274 -66.1991 protocols.floppy_tail.FloppyTail: (2) 47 -68.495 -68.5117 protocols.floppy_tail.FloppyTail: (7) 44 -68.9033 -68.9033 protocols.floppy_tail.FloppyTail: (2) 48 -68.3512 -68.5117 protocols.floppy_tail.FloppyTail: (5) 65 -65.2274 -66.1991 protocols.floppy_tail.FloppyTail: (6) 20 -64.7722 -64.9834 protocols.floppy_tail.FloppyTail: (7) 45 -68.9033 -68.9033 protocols.floppy_tail.FloppyTail: (5) 66 -65.5171 -66.1991 protocols.floppy_tail.FloppyTail: (2) 49 -68.3512 -68.5117 protocols.floppy_tail.FloppyTail: (6) 21 -64.7722 -64.9834 protocols.floppy_tail.FloppyTail: (7) 46 -68.6103 -68.9033 protocols.floppy_tail.FloppyTail: (5) 67 -65.5171 -66.1991 protocols.floppy_tail.FloppyTail: (2) 50 -68.8728 -68.8728 protocols.floppy_tail.FloppyTail: (6) 22 -65.6956 -65.6956 protocols.floppy_tail.FloppyTail: (7) 47 -68.6103 -68.9033 protocols.floppy_tail.FloppyTail: (5) 68 -65.5171 -66.1991 protocols.floppy_tail.FloppyTail: (2) 51 -68.8728 -68.8728 protocols.floppy_tail.FloppyTail: (6) 23 -65.6956 -65.6956 protocols.floppy_tail.FloppyTail: (7) 48 -68.6103 -68.9033 protocols.floppy_tail.FloppyTail: (5) 69 -64.9587 -66.1991 protocols.floppy_tail.FloppyTail: (2) 52 -68.4473 -68.8728 protocols.floppy_tail.FloppyTail: (6) 24 -65.6956 -65.6956 protocols.floppy_tail.FloppyTail: (5) 70 -64.9587 -66.1991 protocols.floppy_tail.FloppyTail: (2) 53 -68.4473 -68.8728 protocols.floppy_tail.FloppyTail: (7) 49 -69.0613 -69.0613 protocols.floppy_tail.FloppyTail: (5) 71 -65.4586 -66.1991 protocols.floppy_tail.FloppyTail: (6) 25 -66.5721 -66.5721 protocols.floppy_tail.FloppyTail: (2) 54 -68.4767 -68.8728 protocols.floppy_tail.FloppyTail: (7) 50 -69.0613 -69.0613 protocols.floppy_tail.FloppyTail: (5) 72 -63.7468 -66.1991 protocols.floppy_tail.FloppyTail: (6) 26 -66.5721 -66.5721 protocols.floppy_tail.FloppyTail: (2) 55 -67.9454 -68.8728 protocols.floppy_tail.FloppyTail: (7) 51 -68.996 -69.0613 protocols.floppy_tail.FloppyTail: (5) 73 -63.7468 -66.1991 protocols.floppy_tail.FloppyTail: (6) 27 -66.5721 -66.5721 protocols.floppy_tail.FloppyTail: (2) 56 -66.7357 -68.8728 protocols.floppy_tail.FloppyTail: (7) 52 -68.996 -69.0613 protocols.floppy_tail.FloppyTail: (5) 74 -63.7468 -66.1991 protocols.floppy_tail.FloppyTail: (6) 28 -66.5721 -66.5721 protocols.floppy_tail.FloppyTail: (2) 57 -66.7357 -68.8728 protocols.floppy_tail.FloppyTail: (7) 53 -68.996 -69.0613 protocols.floppy_tail.FloppyTail: (5) 75 -63.0832 -66.1991 protocols.floppy_tail.FloppyTail: (6) 29 -66.3408 -66.5721 protocols.floppy_tail.FloppyTail: (2) 58 -66.7357 -68.8728 protocols.floppy_tail.FloppyTail: (4) 20 -64.3056 -64.7135 protocols.floppy_tail.FloppyTail: (7) 54 -69.0509 -69.0613 protocols.floppy_tail.FloppyTail: (5) 76 -63.3297 -66.1991 protocols.floppy_tail.FloppyTail: (6) 30 -66.3408 -66.5721 protocols.floppy_tail.FloppyTail: (2) 59 -66.9415 -68.8728 protocols.floppy_tail.FloppyTail: (7) 55 -69.0509 -69.0613 protocols.floppy_tail.FloppyTail: (4) 21 -63.3818 -64.7135 protocols.floppy_tail.FloppyTail: (6) 31 -66.1021 -66.5721 protocols.floppy_tail.FloppyTail: (5) 77 -62.8534 -66.1991 protocols.floppy_tail.FloppyTail: (7) 56 -68.8491 -69.0613 protocols.floppy_tail.FloppyTail: (4) 22 -63.5106 -64.7135 protocols.floppy_tail.FloppyTail: (6) 32 -66.1021 -66.5721 protocols.floppy_tail.FloppyTail: (5) 78 -62.8397 -66.1991 protocols.floppy_tail.FloppyTail: (7) 57 -68.8535 -69.0613 protocols.floppy_tail.FloppyTail: (6) 33 -66.3209 -66.5721 protocols.floppy_tail.FloppyTail: (5) 79 -62.8574 -66.1991 protocols.floppy_tail.FloppyTail: (4) 23 -63.4869 -64.7135 protocols.floppy_tail.FloppyTail: (7) 58 -68.8535 -69.0613 protocols.floppy_tail.FloppyTail: (1) 20 -65.272 -65.272 protocols.floppy_tail.FloppyTail: (6) 34 -66.0991 -66.5721 protocols.floppy_tail.FloppyTail: (7) 59 -68.8535 -69.0613 protocols.floppy_tail.FloppyTail: (4) 24 -63.7589 -64.7135 protocols.floppy_tail.FloppyTail: (6) 35 -65.6976 -66.5721 protocols.floppy_tail.FloppyTail: (1) 21 -65.272 -65.272 protocols.floppy_tail.FloppyTail: (6) 36 -65.6976 -66.5721 protocols.floppy_tail.FloppyTail: (4) 25 -63.7589 -64.7135 protocols.floppy_tail.FloppyTail: (1) 22 -65.272 -65.272 protocols.floppy_tail.FloppyTail: (2) 60 -66.9433 -68.8728 protocols.floppy_tail.FloppyTail: (6) 37 -65.6976 -66.5721 protocols.floppy_tail.FloppyTail: (4) 26 -63.7589 -64.7135 protocols.floppy_tail.FloppyTail: (1) 23 -65.272 -65.272 protocols.floppy_tail.FloppyTail: (2) 61 -67.2878 -68.8728 protocols.floppy_tail.FloppyTail: (6) 38 -65.6976 -66.5721 protocols.floppy_tail.FloppyTail: (4) 27 -63.7589 -64.7135 protocols.floppy_tail.FloppyTail: (6) 39 -65.6976 -66.5721 protocols.floppy_tail.FloppyTail: (2) 62 -67.2878 -68.8728 protocols.floppy_tail.FloppyTail: (1) 24 -65.272 -65.272 protocols.floppy_tail.FloppyTail: (5) 80 -63.2706 -66.1991 protocols.floppy_tail.FloppyTail: (2) 63 -67.2878 -68.8728 protocols.floppy_tail.FloppyTail: (4) 28 -63.7589 -64.7135 protocols.floppy_tail.FloppyTail: (1) 25 -65.272 -65.272 protocols.floppy_tail.FloppyTail: (5) 81 -62.7489 -66.1991 protocols.floppy_tail.FloppyTail: (2) 64 -67.4619 -68.8728 protocols.floppy_tail.FloppyTail: (5) 82 -62.7489 -66.1991 protocols.floppy_tail.FloppyTail: (7) 60 -69.0421 -69.0613 protocols.floppy_tail.FloppyTail: (4) 29 -64.8513 -64.8513 protocols.floppy_tail.FloppyTail: (1) 26 -65.272 -65.272 protocols.floppy_tail.FloppyTail: (2) 65 -67.3476 -68.8728 protocols.floppy_tail.FloppyTail: (5) 83 -62.7489 -66.1991 protocols.floppy_tail.FloppyTail: (2) 66 -67.3476 -68.8728 protocols.floppy_tail.FloppyTail: (7) 61 -69.5034 -69.5034 protocols.floppy_tail.FloppyTail: (4) 30 -64.8513 -64.8513 protocols.floppy_tail.FloppyTail: (1) 27 -64.8498 -65.272 protocols.floppy_tail.FloppyTail: (5) 84 -62.7489 -66.1991 protocols.floppy_tail.FloppyTail: (2) 67 -67.4068 -68.8728 protocols.floppy_tail.FloppyTail: (7) 62 -69.5034 -69.5034 protocols.floppy_tail.FloppyTail: (5) 85 -63.1807 -66.1991 protocols.floppy_tail.FloppyTail: (4) 31 -63.914 -64.8513 protocols.floppy_tail.FloppyTail: (1) 28 -64.8498 -65.272 protocols.floppy_tail.FloppyTail: (2) 68 -67.4068 -68.8728 protocols.floppy_tail.FloppyTail: (7) 63 -69.316 -69.5034 protocols.floppy_tail.FloppyTail: (5) 86 -63.1807 -66.1991 protocols.floppy_tail.FloppyTail: (2) 69 -67.4068 -68.8728 protocols.floppy_tail.FloppyTail: (7) 64 -69.0788 -69.5034 protocols.floppy_tail.FloppyTail: (4) 32 -64.4869 -64.8513 protocols.floppy_tail.FloppyTail: (1) 29 -64.8498 -65.272 protocols.floppy_tail.FloppyTail: (5) 87 -63.1807 -66.1991 protocols.floppy_tail.FloppyTail: (2) 70 -67.4068 -68.8728 protocols.floppy_tail.FloppyTail: (7) 65 -69.2252 -69.5034 protocols.floppy_tail.FloppyTail: (5) 88 -63.1807 -66.1991 protocols.floppy_tail.FloppyTail: (1) 30 -64.8498 -65.272 protocols.floppy_tail.FloppyTail: (4) 33 -64.4317 -64.8513 protocols.floppy_tail.FloppyTail: (2) 71 -67.8508 -68.8728 protocols.floppy_tail.FloppyTail: (7) 66 -69.2252 -69.5034 protocols.floppy_tail.FloppyTail: (6) 40 -67.3575 -67.3575 protocols.floppy_tail.FloppyTail: (5) 89 -63.1807 -66.1991 protocols.floppy_tail.FloppyTail: (2) 72 -67.2543 -68.8728 protocols.floppy_tail.FloppyTail: (4) 34 -64.4317 -64.8513 protocols.floppy_tail.FloppyTail: (7) 67 -69.2252 -69.5034 protocols.floppy_tail.FloppyTail: (1) 31 -64.8498 -65.272 protocols.floppy_tail.FloppyTail: (5) 90 -63.0476 -66.1991 protocols.floppy_tail.FloppyTail: (6) 41 -67.1076 -67.3575 protocols.floppy_tail.FloppyTail: (2) 73 -67.2543 -68.8728 protocols.floppy_tail.FloppyTail: (7) 68 -69.2252 -69.5034 protocols.floppy_tail.FloppyTail: (5) 91 -63.0476 -66.1991 protocols.floppy_tail.FloppyTail: (1) 32 -64.8498 -65.272 protocols.floppy_tail.FloppyTail: (4) 35 -64.4317 -64.8513 protocols.floppy_tail.FloppyTail: (6) 42 -67.1076 -67.3575 protocols.floppy_tail.FloppyTail: (2) 74 -67.2543 -68.8728 protocols.floppy_tail.FloppyTail: (7) 69 -68.4298 -69.5034 protocols.floppy_tail.FloppyTail: (5) 92 -63.0551 -66.1991 protocols.floppy_tail.FloppyTail: (6) 43 -67.1076 -67.3575 protocols.floppy_tail.FloppyTail: (2) 75 -67.3299 -68.8728 protocols.floppy_tail.FloppyTail: (1) 33 -64.7218 -65.272 protocols.floppy_tail.FloppyTail: (4) 36 -64.5396 -64.8513 protocols.floppy_tail.FloppyTail: (7) 70 -68.4259 -69.5034 protocols.floppy_tail.FloppyTail: (5) 93 -63.0551 -66.1991 protocols.floppy_tail.FloppyTail: (6) 44 -67.1076 -67.3575 protocols.floppy_tail.FloppyTail: (2) 76 -67.1087 -68.8728 protocols.floppy_tail.FloppyTail: (7) 71 -68.7743 -69.5034 protocols.floppy_tail.FloppyTail: (5) 94 -63.0569 -66.1991 protocols.floppy_tail.FloppyTail: (1) 34 -64.7218 -65.272 protocols.floppy_tail.FloppyTail: (4) 37 -64.5554 -64.8513 protocols.floppy_tail.FloppyTail: (6) 45 -67.1076 -67.3575 protocols.floppy_tail.FloppyTail: (2) 77 -66.4711 -68.8728 protocols.floppy_tail.FloppyTail: (7) 72 -68.7743 -69.5034 protocols.floppy_tail.FloppyTail: (5) 95 -63.0186 -66.1991 protocols.floppy_tail.FloppyTail: (1) 35 -64.7218 -65.272 protocols.floppy_tail.FloppyTail: (4) 38 -64.5554 -64.8513 protocols.floppy_tail.FloppyTail: (6) 46 -67.1076 -67.3575 protocols.floppy_tail.FloppyTail: (2) 78 -66.6831 -68.8728 protocols.floppy_tail.FloppyTail: (7) 73 -68.7743 -69.5034 protocols.floppy_tail.FloppyTail: (5) 96 -63.0186 -66.1991 protocols.floppy_tail.FloppyTail: (2) 79 -66.6831 -68.8728 protocols.floppy_tail.FloppyTail: (7) 74 -68.7719 -69.5034 protocols.floppy_tail.FloppyTail: (5) 97 -63.0186 -66.1991 protocols.floppy_tail.FloppyTail: (6) 47 -67.0855 -67.3575 protocols.floppy_tail.FloppyTail: (1) 36 -64.7218 -65.272 protocols.floppy_tail.FloppyTail: (4) 39 -63.6724 -64.8513 protocols.floppy_tail.FloppyTail: (5) 98 -63.152 -66.1991 protocols.floppy_tail.FloppyTail: (7) 75 -68.7719 -69.5034 protocols.floppy_tail.FloppyTail: (6) 48 -67.1572 -67.3575 protocols.floppy_tail.FloppyTail: (1) 37 -64.7218 -65.272 protocols.floppy_tail.FloppyTail: (5) 99 -63.152 -66.1991 protocols.floppy_tail.FloppyTail: (7) 76 -68.7719 -69.5034 protocols.floppy_tail.FloppyTail: (6) 49 -67.1572 -67.3575 protocols.floppy_tail.FloppyTail: (1) 38 -64.7218 -65.272 protocols.floppy_tail.FloppyTail: (7) 77 -68.8438 -69.5034 protocols.floppy_tail.FloppyTail: (6) 50 -66.8447 -67.3575 protocols.floppy_tail.FloppyTail: (7) 78 -68.7443 -69.5034 protocols.floppy_tail.FloppyTail: (6) 51 -65.9144 -67.3575 protocols.floppy_tail.FloppyTail: (1) 39 -64.7218 -65.272 protocols.floppy_tail.FloppyTail: (7) 79 -69.0035 -69.5034 protocols.floppy_tail.FloppyTail: (6) 52 -66.0625 -67.3575 protocols.floppy_tail.FloppyTail: (6) 53 -66.0625 -67.3575 protocols.floppy_tail.FloppyTail: (2) 80 -66.6833 -68.8728 protocols.floppy_tail.FloppyTail: (6) 54 -66.0625 -67.3575 protocols.floppy_tail.FloppyTail: (2) 81 -66.6833 -68.8728 protocols.floppy_tail.FloppyTail: (6) 55 -66.0625 -67.3575 protocols.floppy_tail.FloppyTail: (5) 100 -63.2783 -66.1991 protocols.floppy_tail.FloppyTail: (2) 82 -66.6833 -68.8728 protocols.floppy_tail.FloppyTail: (6) 56 -66.0625 -67.3575 protocols.floppy_tail.FloppyTail: (5) centroid score of final perturbed PDB: -66.1991 protocols.floppy_tail.FloppyTail: (2) 83 -66.6833 -68.8728 protocols.floppy_tail.FloppyTail: (6) 57 -66.3337 -67.3575 protocols.floppy_tail.FloppyTail: (5) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.000 0.000 cenpack 1.000 -8.327 -8.327 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.775 -14.775 rama 1.000 -11.188 -11.188 env 1.000 -33.357 -33.357 cbeta 1.000 35.699 35.699 --------------------------------------------------- Total weighted score: -66.199 protocols.floppy_tail.FloppyTail: (5) One perturb took 0.451789 seconds protocols.floppy_tail.FloppyTail: (5) perturb steps complete protocols.floppy_tail.FloppyTail: (4) 40 -63.6746 -64.8513 protocols.floppy_tail.FloppyTail: (2) 84 -67.9912 -68.8728 protocols.floppy_tail.FloppyTail: (6) 58 -66.3337 -67.3575 protocols.floppy_tail.FloppyTail: (7) 80 -69.3224 -69.5034 protocols.floppy_tail.FloppyTail: (4) 41 -63.0737 -64.8513 protocols.floppy_tail.FloppyTail: (2) 85 -68.0227 -68.8728 protocols.floppy_tail.FloppyTail: (6) 59 -66.3337 -67.3575 protocols.floppy_tail.FloppyTail: (7) 81 -69.3224 -69.5034 protocols.floppy_tail.FloppyTail: (2) 86 -66.29 -68.8728 protocols.floppy_tail.FloppyTail: (4) 42 -63.0737 -64.8513 protocols.floppy_tail.FloppyTail: (7) 82 -69.3224 -69.5034 protocols.floppy_tail.FloppyTail: (2) 87 -65.7734 -68.8728 protocols.floppy_tail.FloppyTail: (4) 43 -63.1973 -64.8513 protocols.floppy_tail.FloppyTail: (7) 83 -69.3224 -69.5034 protocols.floppy_tail.FloppyTail: (2) 88 -65.7734 -68.8728 protocols.floppy_tail.FloppyTail: (3) centroid score of starting PDB: -62.5233 protocols.floppy_tail.FloppyTail: (7) 84 -69.3389 -69.5034 protocols.floppy_tail.FloppyTail: (3) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.000 0.000 cenpack 1.000 -7.056 -7.056 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.719 -14.719 rama 1.000 -11.493 -11.493 env 1.000 -30.766 -30.766 cbeta 1.000 35.761 35.761 --------------------------------------------------- Total weighted score: -62.523 protocols.floppy_tail.FloppyTail: (4) 44 -62.8846 -64.8513 protocols.floppy_tail.FloppyTail: (2) 89 -65.7734 -68.8728 protocols.floppy_tail.FloppyTail: (7) 85 -69.3389 -69.5034 protocols.floppy_tail.FloppyTail: (2) 90 -65.7734 -68.8728 protocols.floppy_tail.FloppyTail: (3) shear on at 33 protocols.floppy_tail.FloppyTail: (3) Current Low total cycles =100 protocols.floppy_tail.FloppyTail: (4) 45 -63.2192 -64.8513 protocols.floppy_tail.FloppyTail: (7) 86 -69.3389 -69.5034 protocols.floppy_tail.FloppyTail: (2) 91 -65.7734 -68.8728 protocols.floppy_tail.FloppyTail: (4) 46 -63.4151 -64.8513 protocols.floppy_tail.FloppyTail: (7) 87 -69.3389 -69.5034 protocols.floppy_tail.FloppyTail: (2) 92 -65.7734 -68.8728 protocols.floppy_tail.FloppyTail: (7) 88 -69.3389 -69.5034 protocols.floppy_tail.FloppyTail: (2) 93 -68.2238 -68.8728 protocols.floppy_tail.FloppyTail: (4) 47 -63.8571 -64.8513 protocols.floppy_tail.FloppyTail: (1) 40 -65.3812 -65.3812 protocols.floppy_tail.FloppyTail: (6) 60 -66.3487 -67.3575 protocols.floppy_tail.FloppyTail: (7) 89 -69.0245 -69.5034 protocols.floppy_tail.FloppyTail: (2) 94 -68.2238 -68.8728 protocols.floppy_tail.FloppyTail: (3) 1 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (4) 48 -63.9729 -64.8513 protocols.floppy_tail.FloppyTail: (6) 61 -66.5675 -67.3575 protocols.floppy_tail.FloppyTail: (7) 90 -69.0245 -69.5034 protocols.floppy_tail.FloppyTail: (1) 41 -65.3812 -65.3812 protocols.floppy_tail.FloppyTail: (2) 95 -69.4309 -69.4309 protocols.floppy_tail.FloppyTail: (3) 2 -62.5233 -62.5233 protocols.floppy_tail.FloppyTail: (6) 62 -66.5675 -67.3575 protocols.floppy_tail.FloppyTail: (4) 49 -63.9729 -64.8513 protocols.floppy_tail.FloppyTail: (7) 91 -69.0245 -69.5034 protocols.floppy_tail.FloppyTail: (2) 96 -69.4309 -69.4309 protocols.floppy_tail.FloppyTail: (1) 42 -65.3812 -65.3812 protocols.floppy_tail.FloppyTail: (6) 63 -66.6501 -67.3575 protocols.floppy_tail.FloppyTail: (7) 92 -69.0245 -69.5034 protocols.floppy_tail.FloppyTail: (3) 3 -62.4552 -62.5233 protocols.floppy_tail.FloppyTail: (4) 50 -63.9729 -64.8513 protocols.floppy_tail.FloppyTail: (2) 97 -69.4309 -69.4309 protocols.floppy_tail.FloppyTail: (6) 64 -66.2818 -67.3575 protocols.floppy_tail.FloppyTail: (7) 93 -69.0245 -69.5034 protocols.floppy_tail.FloppyTail: (1) 43 -65.3812 -65.3812 protocols.floppy_tail.FloppyTail: (3) 4 -62.5164 -62.5233 protocols.floppy_tail.FloppyTail: (4) 51 -64.8204 -64.8513 protocols.floppy_tail.FloppyTail: (2) 98 -69.4309 -69.4309 protocols.floppy_tail.FloppyTail: (6) 65 -66.0124 -67.3575 protocols.floppy_tail.FloppyTail: (7) 94 -68.7443 -69.5034 protocols.floppy_tail.FloppyTail: (1) 44 -65.3812 -65.3812 protocols.floppy_tail.FloppyTail: (2) 99 -68.6046 -69.4309 protocols.floppy_tail.FloppyTail: (3) 5 -62.5164 -62.5233 protocols.floppy_tail.FloppyTail: (6) 66 -65.6731 -67.3575 protocols.floppy_tail.FloppyTail: (4) 52 -64.8164 -64.8513 protocols.floppy_tail.FloppyTail: (7) 95 -68.3317 -69.5034 protocols.floppy_tail.FloppyTail: (6) 67 -65.4181 -67.3575 protocols.floppy_tail.FloppyTail: (1) 45 -65.3812 -65.3812 protocols.floppy_tail.FloppyTail: (3) 6 -62.5164 -62.5233 protocols.floppy_tail.FloppyTail: (7) 96 -66.566 -69.5034 protocols.floppy_tail.FloppyTail: (4) 53 -65.2107 -65.2107 protocols.floppy_tail.FloppyTail: (6) 68 -65.4181 -67.3575 protocols.floppy_tail.FloppyTail: (7) 97 -67.1384 -69.5034 protocols.floppy_tail.FloppyTail: (3) 7 -62.5164 -62.5233 protocols.floppy_tail.FloppyTail: (1) 46 -65.3043 -65.3812 protocols.floppy_tail.FloppyTail: (6) 69 -65.4181 -67.3575 protocols.floppy_tail.FloppyTail: (7) 98 -67.7404 -69.5034 protocols.floppy_tail.FloppyTail: (3) 8 -62.5164 -62.5233 protocols.floppy_tail.FloppyTail: (4) 54 -65.2107 -65.2107 protocols.floppy_tail.FloppyTail: (6) 70 -65.4181 -67.3575 protocols.floppy_tail.FloppyTail: (7) 99 -68.2686 -69.5034 protocols.floppy_tail.FloppyTail: (1) 47 -65.7868 -65.7868 protocols.floppy_tail.FloppyTail: (4) 55 -65.0186 -65.2107 protocols.floppy_tail.FloppyTail: (6) 71 -65.7582 -67.3575 protocols.floppy_tail.FloppyTail: (3) 9 -63.0141 -63.0141 protocols.floppy_tail.FloppyTail: (1) 48 -65.7868 -65.7868 protocols.floppy_tail.FloppyTail: (6) 72 -66.3067 -67.3575 protocols.floppy_tail.FloppyTail: (4) 56 -65.0186 -65.2107 protocols.floppy_tail.FloppyTail: (3) 10 -63.0141 -63.0141 protocols.floppy_tail.FloppyTail: (6) 73 -66.3067 -67.3575 protocols.floppy_tail.FloppyTail: (2) 100 -68.6049 -69.4309 protocols.floppy_tail.FloppyTail: (4) 57 -65.0186 -65.2107 protocols.floppy_tail.FloppyTail: (1) 49 -65.7902 -65.7902 protocols.floppy_tail.FloppyTail: (6) 74 -66.3067 -67.3575 protocols.floppy_tail.FloppyTail: (3) 11 -65.3612 -65.3612 protocols.floppy_tail.FloppyTail: (2) centroid score of final perturbed PDB: -69.4309 protocols.floppy_tail.FloppyTail: (4) 58 -64.3469 -65.2107 protocols.floppy_tail.FloppyTail: (2) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.073 0.073 protocols.floppy_tail.FloppyTail: (6) 75 -66.3067 -67.3575 cenpack 1.000 -9.952 -9.952 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.725 -14.725 rama 1.000 -13.352 -13.352 env 1.000 -32.581 -32.581 cbeta 1.000 35.356 35.356 --------------------------------------------------- Total weighted score: -69.431 protocols.floppy_tail.FloppyTail: (2) One perturb took 0.472424 seconds protocols.floppy_tail.FloppyTail: (2) perturb steps complete protocols.floppy_tail.FloppyTail: (1) 50 -67.3252 -67.3252 protocols.floppy_tail.FloppyTail: (3) 12 -65.3612 -65.3612 protocols.floppy_tail.FloppyTail: (6) 76 -66.3067 -67.3575 protocols.floppy_tail.FloppyTail: (4) 59 -64.3469 -65.2107 protocols.floppy_tail.FloppyTail: (7) 100 -68.2747 -69.5034 protocols.floppy_tail.FloppyTail: (1) 51 -67.3252 -67.3252 protocols.floppy_tail.FloppyTail: (6) 77 -66.3067 -67.3575 protocols.floppy_tail.FloppyTail: (3) 13 -65.3612 -65.3612 protocols.floppy_tail.FloppyTail: (7) centroid score of final perturbed PDB: -69.5034 protocols.floppy_tail.FloppyTail: (6) 78 -66.3067 -67.3575 protocols.floppy_tail.FloppyTail: (1) 52 -66.9593 -67.3252 protocols.floppy_tail.FloppyTail: (7) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.029 0.029 cenpack 1.000 -8.817 -8.817 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.965 -14.965 rama 1.000 -13.409 -13.409 env 1.000 -33.689 -33.689 cbeta 1.000 35.598 35.598 protocols.floppy_tail.FloppyTail: (3) 14 -65.3612 -65.3612 --------------------------------------------------- Total weighted score: -69.503 protocols.floppy_tail.FloppyTail: (7) One perturb took 0.477609 seconds protocols.floppy_tail.FloppyTail: (7) perturb steps complete protocols.floppy_tail.FloppyTail: (6) 79 -66.2597 -67.3575 protocols.floppy_tail.FloppyTail: (1) 53 -66.9593 -67.3252 protocols.floppy_tail.FloppyTail: (3) 15 -65.3612 -65.3612 protocols.floppy_tail.FloppyTail: (3) 16 -65.3612 -65.3612 protocols.floppy_tail.FloppyTail: (1) 54 -67.3353 -67.3353 protocols.floppy_tail.FloppyTail: (3) 17 -65.3612 -65.3612 protocols.floppy_tail.FloppyTail: (1) 55 -67.3353 -67.3353 protocols.floppy_tail.FloppyTail: (3) 18 -65.1137 -65.3612 protocols.floppy_tail.FloppyTail: (1) 56 -67.3353 -67.3353 protocols.floppy_tail.FloppyTail: (3) 19 -65.1137 -65.3612 protocols.floppy_tail.FloppyTail: (1) 57 -67.3353 -67.3353 protocols.floppy_tail.FloppyTail: (1) 58 -67.855 -67.855 protocols.floppy_tail.FloppyTail: (1) 59 -67.855 -67.855 protocols.floppy_tail.FloppyTail: (6) 80 -66.662 -67.3575 protocols.floppy_tail.FloppyTail: (4) 60 -64.6317 -65.2107 protocols.floppy_tail.FloppyTail: (6) 81 -66.662 -67.3575 protocols.floppy_tail.FloppyTail: (4) 61 -64.6317 -65.2107 protocols.floppy_tail.FloppyTail: (6) 82 -66.631 -67.3575 protocols.floppy_tail.FloppyTail: (4) 62 -64.6317 -65.2107 protocols.floppy_tail.FloppyTail: (6) 83 -66.631 -67.3575 protocols.floppy_tail.FloppyTail: (4) 63 -64.6317 -65.2107 protocols.floppy_tail.FloppyTail: (6) 84 -66.631 -67.3575 protocols.floppy_tail.FloppyTail: (4) 64 -64.6317 -65.2107 protocols.floppy_tail.FloppyTail: (6) 85 -66.6362 -67.3575 protocols.floppy_tail.FloppyTail: (3) 20 -65.1144 -65.3612 protocols.floppy_tail.FloppyTail: (4) 65 -64.766 -65.2107 protocols.floppy_tail.FloppyTail: (6) 86 -65.5145 -67.3575 protocols.floppy_tail.FloppyTail: (3) 21 -64.7939 -65.3612 protocols.floppy_tail.FloppyTail: (6) 87 -65.5145 -67.3575 protocols.floppy_tail.FloppyTail: (4) 66 -64.766 -65.2107 protocols.floppy_tail.FloppyTail: (6) 88 -65.2134 -67.3575 protocols.floppy_tail.FloppyTail: (3) 22 -65.5738 -65.5738 protocols.floppy_tail.FloppyTail: (4) 67 -64.9147 -65.2107 protocols.floppy_tail.FloppyTail: (1) 60 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (6) 89 -65.2134 -67.3575 protocols.floppy_tail.FloppyTail: (3) 23 -65.4975 -65.5738 protocols.floppy_tail.FloppyTail: (4) 68 -64.372 -65.2107 protocols.floppy_tail.FloppyTail: (1) 61 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (6) 90 -65.2134 -67.3575 protocols.floppy_tail.FloppyTail: (3) 24 -65.4975 -65.5738 protocols.floppy_tail.FloppyTail: (4) 69 -64.372 -65.2107 protocols.floppy_tail.FloppyTail: (1) 62 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (6) 91 -64.94 -67.3575 protocols.floppy_tail.FloppyTail: (3) 25 -65.5249 -65.5738 protocols.floppy_tail.FloppyTail: (6) 92 -64.94 -67.3575 protocols.floppy_tail.FloppyTail: (4) 70 -64.372 -65.2107 protocols.floppy_tail.FloppyTail: (1) 63 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (3) 26 -65.5249 -65.5738 protocols.floppy_tail.FloppyTail: (6) 93 -64.94 -67.3575 protocols.floppy_tail.FloppyTail: (4) 71 -64.2382 -65.2107 protocols.floppy_tail.FloppyTail: (1) 64 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (6) 94 -65.0224 -67.3575 protocols.floppy_tail.FloppyTail: (3) 27 -65.5249 -65.5738 protocols.floppy_tail.FloppyTail: (1) 65 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (4) 72 -64.9719 -65.2107 protocols.floppy_tail.FloppyTail: (6) 95 -65.1581 -67.3575 protocols.floppy_tail.FloppyTail: (3) 28 -65.2701 -65.5738 protocols.floppy_tail.FloppyTail: (1) 66 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (4) 73 -64.2462 -65.2107 protocols.floppy_tail.FloppyTail: (6) 96 -65.1581 -67.3575 protocols.floppy_tail.FloppyTail: (3) 29 -65.3654 -65.5738 protocols.floppy_tail.FloppyTail: (6) 97 -64.6171 -67.3575 protocols.floppy_tail.FloppyTail: (1) 67 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (4) 74 -64.255 -65.2107 protocols.floppy_tail.FloppyTail: (6) 98 -64.6171 -67.3575 protocols.floppy_tail.FloppyTail: (1) 68 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (3) 30 -65.3654 -65.5738 protocols.floppy_tail.FloppyTail: (4) 75 -64.2651 -65.2107 protocols.floppy_tail.FloppyTail: (6) 99 -64.6171 -67.3575 protocols.floppy_tail.FloppyTail: (1) 69 -67.8802 -67.8802 protocols.floppy_tail.FloppyTail: (3) 31 -65.5303 -65.5738 protocols.floppy_tail.FloppyTail: (4) 76 -64.2845 -65.2107 protocols.floppy_tail.FloppyTail: (1) 70 -66.5368 -67.8802 protocols.floppy_tail.FloppyTail: (3) 32 -65.5303 -65.5738 protocols.floppy_tail.FloppyTail: (4) 77 -64.7481 -65.2107 protocols.floppy_tail.FloppyTail: (3) 33 -65.5303 -65.5738 protocols.floppy_tail.FloppyTail: (1) 71 -66.4354 -67.8802 protocols.floppy_tail.FloppyTail: (4) 78 -64.0312 -65.2107 protocols.floppy_tail.FloppyTail: (1) 72 -66.4354 -67.8802 protocols.floppy_tail.FloppyTail: (3) 34 -65.5303 -65.5738 protocols.floppy_tail.FloppyTail: (4) 79 -64.1432 -65.2107 protocols.floppy_tail.FloppyTail: (1) 73 -66.4354 -67.8802 protocols.floppy_tail.FloppyTail: (3) 35 -65.4896 -65.5738 protocols.floppy_tail.FloppyTail: (3) 36 -63.8986 -65.5738 protocols.floppy_tail.FloppyTail: (1) 74 -66.0541 -67.8802 protocols.floppy_tail.FloppyTail: (6) 100 -64.6247 -67.3575 protocols.floppy_tail.FloppyTail: (3) 37 -63.8986 -65.5738 protocols.floppy_tail.FloppyTail: (1) 75 -66.0541 -67.8802 protocols.floppy_tail.FloppyTail: (6) centroid score of final perturbed PDB: -67.3575 protocols.floppy_tail.FloppyTail: (6) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.030 0.030 cenpack 1.000 -8.952 -8.952 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -15.167 -15.167 rama 1.000 -11.746 -11.746 env 1.000 -32.837 -32.837 cbeta 1.000 35.565 35.565 --------------------------------------------------- Total weighted score: -67.358 protocols.floppy_tail.FloppyTail: (6) One perturb took 0.487848 seconds protocols.floppy_tail.FloppyTail: (6) perturb steps complete protocols.floppy_tail.FloppyTail: (3) 38 -63.8986 -65.5738 protocols.floppy_tail.FloppyTail: (1) 76 -66.0541 -67.8802 core.pack.task: (5) Packer task: initialize from command line() core.pack.task.ResfileReader: (5) On line 3, the pose does not have residue with chain=B, PDBnum=96. protocols.floppy_tail.FloppyTail: (3) 39 -63.8986 -65.5738 protocols.floppy_tail.FloppyTail: (1) 77 -66.0541 -67.8802 protocols.floppy_tail.FloppyTail: (1) 78 -66.0541 -67.8802 protocols.floppy_tail.FloppyTail: (1) 79 -66.0263 -67.8802 protocols.floppy_tail.FloppyTail: (4) 80 -64.744 -65.2107 protocols.floppy_tail.FloppyTail: (4) 81 -64.6365 -65.2107 protocols.floppy_tail.FloppyTail: (4) 82 -64.5562 -65.2107 protocols.floppy_tail.FloppyTail: (4) 83 -64.6059 -65.2107 protocols.floppy_tail.FloppyTail: (3) 40 -63.9684 -65.5738 protocols.floppy_tail.FloppyTail: (3) 41 -65.3934 -65.5738 protocols.floppy_tail.FloppyTail: (3) 42 -65.4819 -65.5738 protocols.floppy_tail.FloppyTail: (3) 43 -65.328 -65.5738 protocols.floppy_tail.FloppyTail: (3) 44 -65.328 -65.5738 protocols.floppy_tail.FloppyTail: (1) 80 -66.6314 -67.8802 protocols.floppy_tail.FloppyTail: (4) 84 -64.8057 -65.2107 protocols.floppy_tail.FloppyTail: (3) 45 -65.941 -65.941 protocols.floppy_tail.FloppyTail: (4) 85 -64.9126 -65.2107 protocols.floppy_tail.FloppyTail: (3) 46 -65.941 -65.941 protocols.floppy_tail.FloppyTail: (4) 86 -64.7982 -65.2107 protocols.floppy_tail.FloppyTail: (4) 87 -64.9706 -65.2107 protocols.floppy_tail.FloppyTail: (3) 47 -66.0911 -66.0911 core.pack.task: (2) Packer task: initialize from command line() core.pack.task.ResfileReader: (2) On line 3, the pose does not have residue with chain=B, PDBnum=96. protocols.floppy_tail.FloppyTail: (4) 88 -64.478 -65.2107 protocols.floppy_tail.FloppyTail: (3) 48 -66.7186 -66.7186 protocols.floppy_tail.FloppyTail: (4) 89 -64.2575 -65.2107 protocols.floppy_tail.FloppyTail: (1) 81 -66.3689 -67.8802 protocols.floppy_tail.FloppyTail: (3) 49 -66.7186 -66.7186 protocols.floppy_tail.FloppyTail: (4) 90 -64.255 -65.2107 core.pack.task: (7) Packer task: initialize from command line() protocols.floppy_tail.FloppyTail: (3) 50 -66.7186 -66.7186 protocols.floppy_tail.FloppyTail: (4) 91 -64.321 -65.2107 core.pack.task.ResfileReader: (7) On line 3, the pose does not have residue with chain=B, PDBnum=96. protocols.floppy_tail.FloppyTail: (4) 92 -65.0618 -65.2107 protocols.floppy_tail.FloppyTail: (3) 51 -66.4791 -66.7186 protocols.floppy_tail.FloppyTail: (4) 93 -64.9018 -65.2107 protocols.floppy_tail.FloppyTail: (3) 52 -66.0854 -66.7186 protocols.floppy_tail.FloppyTail: (1) 82 -66.3689 -67.8802 protocols.floppy_tail.FloppyTail: (1) 83 -66.3689 -67.8802 protocols.floppy_tail.FloppyTail: (3) 53 -65.848 -66.7186 protocols.floppy_tail.FloppyTail: (1) 84 -66.3689 -67.8802 protocols.floppy_tail.FloppyTail: (3) 54 -65.848 -66.7186 protocols.floppy_tail.FloppyTail: (1) 85 -66.3689 -67.8802 protocols.floppy_tail.FloppyTail: (3) 55 -65.848 -66.7186 protocols.floppy_tail.FloppyTail: (3) 56 -65.848 -66.7186 protocols.floppy_tail.FloppyTail: (1) 86 -66.3689 -67.8802 protocols.floppy_tail.FloppyTail: (1) 87 -66.1583 -67.8802 protocols.floppy_tail.FloppyTail: (3) 57 -65.848 -66.7186 protocols.floppy_tail.FloppyTail: (3) 58 -66.0704 -66.7186 protocols.floppy_tail.FloppyTail: (1) 88 -66.1583 -67.8802 protocols.floppy_tail.FloppyTail: (1) 89 -66.1583 -67.8802 protocols.floppy_tail.FloppyTail: (3) 59 -66.0704 -66.7186 protocols.floppy_tail.FloppyTail: (1) 90 -66.1583 -67.8802 protocols.floppy_tail.FloppyTail: (1) 91 -66.1583 -67.8802 protocols.floppy_tail.FloppyTail: (1) 92 -68.5266 -68.5266 protocols.floppy_tail.FloppyTail: (1) 93 -68.5266 -68.5266 protocols.floppy_tail.FloppyTail: (4) 94 -64.9018 -65.2107 protocols.floppy_tail.FloppyTail: (4) 95 -64.7656 -65.2107 protocols.floppy_tail.FloppyTail: (1) 94 -68.3828 -68.5266 protocols.floppy_tail.FloppyTail: (4) 96 -63.4336 -65.2107 protocols.floppy_tail.FloppyTail: (1) 95 -68.3828 -68.5266 protocols.floppy_tail.FloppyTail: (4) 97 -63.4336 -65.2107 protocols.floppy_tail.FloppyTail: (1) 96 -68.3828 -68.5266 protocols.floppy_tail.FloppyTail: (4) 98 -63.4336 -65.2107 protocols.floppy_tail.FloppyTail: (3) 60 -66.1042 -66.7186 protocols.floppy_tail.FloppyTail: (1) 97 -68.702 -68.702 protocols.floppy_tail.FloppyTail: (3) 61 -66.1042 -66.7186 protocols.floppy_tail.FloppyTail: (1) 98 -68.3197 -68.702 protocols.floppy_tail.FloppyTail: (1) 99 -68.3197 -68.702 protocols.floppy_tail.FloppyTail: (3) 62 -66.1042 -66.7186 protocols.floppy_tail.FloppyTail: (3) 63 -66.1042 -66.7186 protocols.floppy_tail.FloppyTail: (4) 99 -63.329 -65.2107 protocols.floppy_tail.FloppyTail: (3) 64 -66.1042 -66.7186 protocols.floppy_tail.FloppyTail: (3) 65 -63.7711 -66.7186 protocols.floppy_tail.FloppyTail: (3) 66 -63.7711 -66.7186 core.pack.task: (6) Packer task: initialize from command line() core.pack.task.ResfileReader: (6) On line 3, the pose does not have residue with chain=B, PDBnum=96. protocols.floppy_tail.FloppyTail: (3) 67 -63.6149 -66.7186 protocols.floppy_tail.FloppyTail: (1) 100 -68.3287 -68.702 protocols.floppy_tail.FloppyTail: (3) 68 -64.1884 -66.7186 protocols.floppy_tail.FloppyTail: (1) centroid score of final perturbed PDB: -68.702 protocols.floppy_tail.FloppyTail: (1) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.041 0.041 cenpack 1.000 -10.130 -10.130 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -15.189 -15.189 rama 1.000 -11.374 -11.374 env 1.000 -33.452 -33.452 cbeta 1.000 35.652 35.652 --------------------------------------------------- Total weighted score: -68.702 protocols.floppy_tail.FloppyTail: (1) One perturb took 0.629637 seconds protocols.floppy_tail.FloppyTail: (1) perturb steps complete protocols.floppy_tail.FloppyTail: (3) 69 -63.7736 -66.7186 protocols.floppy_tail.FloppyTail: (3) 70 -63.7143 -66.7186 protocols.floppy_tail.FloppyTail: (3) 71 -63.4275 -66.7186 protocols.floppy_tail.FloppyTail: (4) 100 -64.6941 -65.2107 protocols.floppy_tail.FloppyTail: (4) centroid score of final perturbed PDB: -65.2107 protocols.floppy_tail.FloppyTail: (4) ------------------------------------------------------------ Scores Weight Raw Score Wghtd.Score ------------------------------------------------------------ vdw 1.000 0.027 0.027 cenpack 1.000 -8.458 -8.458 hbond_sr_bb 1.000 -25.730 -25.730 hbond_lr_bb 1.000 -8.520 -8.520 pair 1.000 -14.359 -14.359 rama 1.000 -13.358 -13.358 env 1.000 -30.764 -30.764 cbeta 1.000 35.950 35.950 --------------------------------------------------- Total weighted score: -65.211 protocols.floppy_tail.FloppyTail: (4) One perturb took 0.617122 seconds protocols.floppy_tail.FloppyTail: (4) perturb steps complete protocols.floppy_tail.FloppyTail: (3) 72 -63.4275 -66.7186 protocols.floppy_tail.FloppyTail: (3) 73 -63.4275 -66.7186 protocols.floppy_tail.FloppyTail: (3) 74 -63.4275 -66.7186 protocols.floppy_tail.FloppyTail: (3) 75 -63.5189 -66.7186 protocols.floppy_tail.FloppyTail: (3) 76 -63.5189 -66.7186 protocols.floppy_tail.FloppyTail: (3) 77 -63.1057 -66.7186 protocols.floppy_tail.FloppyTail: (3) 78 -63.1057 -66.7186 protocols.floppy_tail.FloppyTail: (3) 79 -63.2479 -66.7186 protocols.floppy_tail.FloppyTail: (3) 80 -64.83 -66.7186 protocols.floppy_tail.FloppyTail: (3) 81 -65.4156 -66.7186 protocols.floppy_tail.FloppyTail: (3) 82 -65.4156 -66.7186