Man pages sections > man1 > csg_dlptopol

csg_dlptopol - Part of the VOTCA package

csg_dlptopol(1) General Commands Manual csg_dlptopol(1)

NAME

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 1.3 )
 
Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
 
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
 
Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.
 
Thu Dec 1 14:43:53 UTC 2016 Version: 1.3