NAME

csg_call convert_potential gromacs - Part of the VOTCA package

SYNOPSIS

csg_call convert_potential gromacs [OPTIONS]

csg_call convert_potential gromacs [–help]

Usage: csg_call [OPTIONS] convert_potential gromacs [options] input output

DESCRIPTION

This script is a wrapper to convert a potential to gromacs

OPTIONS

Allowed options:

    --help       show this help
    --clean      remove all intermediate temp files
    --no-r2d     do not converts rad to degree (scale x axis with 180/3.1415)
                 for angle and dihedral
                 Note: VOTCA calcs in rad, but gromacs in degree
    --no-shift   do not shift the potential
    --step XXX   use XXX as step for the interaction