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SilentTrajectoryRecorder

Record a trajectory of snapshots as silent-file.

<SilentTrajectoryRecorder stride="(100 &Size)" score_stride="(100 &Size)" filename="(traj &string)" cumulate_jobs="(0 &bool)" cumulate_replicas="(0 &bool)"/>

By default, this will actually generate PDB file output. To get silent file output, several additional command line flags are required:

 -out:file:silent <silent filename> -run:intermediate_structures

If used within MetropolisHastings , the current job output name becomes part of the filename. 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 , input structure name of structname , trajectory number of XXXX , replica number of YYY , and -out:file:silent default.out , the following names will be generated given the options.

  • cumulate_jobs=0 cumulate_replicas=0: default_structname_XXXX_YYY_traj.out
  • cumulate_jobs=0 cumulate_replicas=1: default_structname_XXXX_traj.out
  • cumulate_jobs=1 cumulate_replicas=0: default_YYY_traj.out
  • cumulate_jobs=1 cumulate_replicas=1: default_traj.out

See Also