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