man csg_dlptopol (1): 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 <[email protected]>

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 1.3 )

COPYRIGHT

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at

http://www.apache.org/licenses/LICENSE-2.0