NAME¶
csg_call optimizer state_to_potentials - Part of the VOTCA package
SYNOPSIS¶
csg_call optimizer state_to_potentials [OPTIONS]
csg_call optimizer state_to_potentials [–help]
Usage: csg_call [OPTIONS] optimizer state_to_potentials input output
DESCRIPTION¶
This script generates potential (.pot.new) for all interactions out the first pending line in the input state file and flags this line active in output state