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CSG_DLPTOPOL(1) General Commands Manual CSG_DLPTOPOL(1) NAME csg_dlptopol - Part of the VOTCA package SYNOPSIS csg_dlptopol [OPTIONS] csg_dlptopol [--help] 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! * 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 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 AUTHORS Written and maintained by the VOTCA Development Team <devs@votca.org> COPYRIGHT Copyright 2009-2024 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 dis- tributed under the License is distributed on an "AS IS" BASIS, WITHOUT WAR- RANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limi- tations under the License. VOTCA Development Team csg_dlptopol User Manual CSG_DLPTOPOL(1)
NAME | SYNOPSIS | DESCRIPTION | OPTIONS | AUTHORS | COPYRIGHT
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