Provided by: votca-csg_2021.2-1_amd64
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 --verbose be loud and noisy --verbose1 be very loud and noisy -v [ --verbose2 ] be extremly 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 2021.2 )
COPYRIGHT
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.