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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.