Back to Mover page.


Record a trajectory to a multimodel PDB file. Only record models every n times using stride. Append ".gz" to filename to use compression.

<PDBTrajectoryRecorder stride="(100 &Size)" filename="(traj.pdb &string)" cumulate_jobs="(0 &bool)" cumulate_replicas="(0 &bool)"/>

If run with MPI, the cumulate_jobs and cumulate_replicas parameters affect the filename where the trajectory is ultimately written. For instance, with the default filename parameter of traj.pdb , input structure name of structname , trajectory number of XXXX , and replica number of YYY , the following names will be generated given the options.

  • cumulate_jobs=0 cumulate_replicas=0: structname_XXXX_YYY_traj.pdb
  • cumulate_jobs=0 cumulate_replicas=1: structname_XXXX_traj.pdb
  • cumulate_jobs=1 cumulate_replicas=0: YYY_traj.pdb
  • cumulate_jobs=1 cumulate_replicas=1: traj.pdb