NAME

csg_call convert_potential tab - Part of the VOTCA package

SYNOPSIS

csg_call convert_potential tab [OPTIONS]

csg_call convert_potential tab [–help]

Usage: csg_call [OPTIONS] convert_potential tab [OPTIONS] <in> <derivatives_in> <out>

DESCRIPTION

This script converts csg potential files to the tab format (as read by espresso or lammps or dlpoly).

In addition, it does some magic tricks: - shift the potential, so that it is zero at the cutoff

EXAMPLES

* table_to_tab.pl --type non-bonded table.in table_b0.xvg

OPTIONS

Allowed options:

-h, --help            show this help message
--type XXX            change the type of xvg table
                      Default: non-bonded
--header XXX          Write a special simulation programm header