dps check

Inspect DROPPS run, trajectory, and index files before analysis.

Synopsis and options

usage: dps check [-h] -s FILE [-f FILE] [-n FILE]

Inspect DROPPS run, trajectory, and index files before analysis.

Input:
  -s FILE, --run-input FILE
                        Input DROPPS run file (.tpr) containing the system and simulation
                        settings. (required)
  -f FILE, --trajectory FILE
                        Optional input trajectory file (.xtc). (default: None)
  -n FILE, --index FILE
                        Optional index file (.ndx) defining additional atom groups. (default:
                        None)

Parameters:
  -h, --help            Show this help message and exit.

Examples:
  dps check -s run.tpr -f run.xtc -n index.ndx

Note

This page is generated from the DROPPS 1.0 argument parser. Run dps check -h in the installed environment for the same reference at the command line.