trj_info.py Command Help

Command: $SCHRODINGER/run trj_info.py

usage: trj_info.py [-h] [-t TRJ] [-s START:END:STEP] cms

This script prints out general information about the model system and the trajectory.

Example:
  $SCHRODINGER/run trj_info.py test-out.cms -t test_trj

Copyright Schrodinger, LLC. All rights reserved.

positional arguments:
  cms                   Input .cms file name

options:
  -h, --help            show this help message and exit
  -t TRJ, -trj TRJ      Input trajectory file or dir name, which typically
                        ends with an extension name of '.xtc' (XTC format) or
                        '_trj' (DTR format), e.g., jobname.xtc, jobname_trj
  -s START:END:STEP, -slice-trj START:END:STEP
                        Use the sliced trajectory. We use Python's slice
                        notation. START, END, and STEP should be integer
                        numbers.