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 ‘’$U=C12/r^12 - C6/r^6$’’