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

·
csg_dlptopol --top .dlpf --out .dlpf --cg cg-map.xml convert FIELD to FIELD_CGV using cg-map.xml
·
csg_dlptopol --top FA-dlpoly.dlpf --out CG-dlpoly.dlpf --cg cg-map.xml
·
csg_dlptopol --top FA-gromacs.tpr --out FA-dlpoly.dlpf --no-map

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 )

Info

Sun Oct 30 21:47:21 UTC 2016 Version: 1.4