csg_dlptopol man page

csg_dlptopol — Part of the VOTCA package

Synopsis

csg_dlptopol [OPTION] [OPTIONPARAMETERS]

Description

Create a dlpoly topology template based on an existing (atomistic) topology and  a mapping xml-file. The created template file needs to be inspected and amended by the user!

Please visit the program site at __http://www.votca.org__.

Options

Allowed options:

-h [ --help ]

display this help and exit

-v [ --verbose ]

be loud and noisy

--top arg

atomistic topology file

--out arg

output topology in dlpoly format

Mapping options:

--cg arg

coarse graining mapping and bond definitions (xml-file)

--map-ignore arg

list of molecules to ignore separated by ;

--no-map

disable mapping and act on original trajectory

Examples

Authors

Written and maintained by the VOTCA Development Team <devs@votca.org>

This Manual Page was converted from t2t format to the this format by txt2tags (http://txt2tags.org) ! The t2t file was extracted from 'csg_dlptopol --help' by help2t2t (version 1.4.1 )

Info

Mon Sep 4 01:59:48 UTC 2017 Version: 1.4.1