NAME

csg_call compute_lj 12_6 - Part of the VOTCA package

SYNOPSIS

csg_call compute_lj 12_6 [OPTIONS]

csg_call compute_lj 12_6 [–help]

Usage: csg_call [OPTIONS] compute_lj 12_6 outfile min:step:max C6 C12

DESCRIPTION

This script calculates the LJ 12-6 potential ‘’$U=C12/r^12 - C6/r^6$’’