I would like to relax my X1.pdb structure with the atom coordinate constraints relative to the backbone atoms of another structure X2.pdb and some other constraints given in -cst_fa_file constrains.
Here is what I have done:
relax.linuxgccrelease -database /home2/ruvinsky/simcode/rosetta_database -in:file:s X1.pdb -in:file:fullatom -out:file:fullatom -relax:fast -score:weights score12_full -out:pdb -ex1aro -ex1 -ex2 -out:nstruct 10 -relax:constrain_relax_to_native_coords -in:file:native X2.pdb -cst_fa_file constraints
It failed with the following error message:
ERROR: Called Constraint::show method from derived class Pocket,ended up in Constraint::show
ERROR:: Exit from: src/core/scoring/constraints/Constraint.hh line: 326
The relax app worked well when one of the flags (either -relax:constrain_relax_to_native_coord or -cst_fa_file) was removed. Is there a way to use both constraints at the same time?