dps addangle

Add angle restraints to an ITP topology.

Synopsis and options

usage: dps addangle [-h] -ip FILE -op FILE -al FILE

Add angle restraints to an ITP topology.

Input:
  -ip FILE, --input-topology FILE
                        Input topology file (.itp). (required)
  -al FILE, --angle-list FILE
                        Input text file with one 'BEAD_ID ANGLE_DEG FORCE_CONSTANT' record per
                        line; bead IDs are 1-based. (required)

Output:
  -op FILE, --output-topology FILE
                        Output topology file (.itp) with angle restraints; the extension is added
                        if omitted. (required)

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

Examples:
  dps addangle -ip chain.itp -op chain-angles.itp -al angles.dat

Note

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