dps make_ndx

Create or extend an atom-group index file interactively.

Synopsis and options

usage: dps make_ndx [-h] -s FILE [-n FILE] -o FILE

Create or extend an atom-group index file interactively.

Input:
  -s FILE, --run-input FILE
                        Input DROPPS run file (.tpr) containing the system topology. (required)
  -n FILE, --index FILE
                        Optional existing index file (.ndx) to extend. (default: None)

Output:
  -o FILE, --output FILE
                        Output index file (.ndx). (required)

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

Examples:
  dps make_ndx -s run.tpr -o index.ndx

Note

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