NAME¶
csg_call potential shift - Part of the VOTCA package
SYNOPSIS¶
csg_call potential shift [OPTIONS]
csg_call potential shift [–help]
Usage: csg_call [OPTIONS] potential shift [OPTIONS] <in> <out>
DESCRIPTION¶
This script shifts the whole potential by minimum (bonded potentials) or last value (non-bonded potentials).
EXAMPLES¶
* potential_shift.pl --type bond table.in table.out
OPTIONS¶
Allowed options:
-h, --help show this help message
--type XXX change the type of potential
Default: non-bonded
Possible types: non-bonded, bond, angle, dihedral, bonded