1CSG_DLPTOPOL(1)             General Commands Manual            CSG_DLPTOPOL(1)
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NAME

6       csg_dlptopol - Part of the VOTCA package
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SYNOPSIS

11       csg_dlptopol [OPTIONS]
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13       csg_dlptopol [--help]
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DESCRIPTION

18       Create a dlpoly topology template based on an existing (atomistic)
19       topology and a mapping xml-file. The created template file needs to be
20       inspected and amended by the user!
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22         * csg_dlptopol --top .dlpf --out .dlpf --cg cg-map.xml
23           convert FIELD to FIELD_CGV using cg-map.xml
24         * csg_dlptopol --top FA-dlpoly.dlpf --out CG-dlpoly.dlpf --cg cg-
25       map.xml
26         * csg_dlptopol --top FA-gromacs.tpr --out FA-dlpoly.dlpf --no-map
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OPTIONS

33       Allowed options:
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35           -h [ --help ]            display this help and exit
36           --verbose                be loud and noisy
37           --verbose1               be very loud and noisy
38           -v [ --verbose2 ]        be extremly loud and noisy
39           --top arg                atomistic topology file
40           --out arg                output topology in dlpoly format
41         Mapping options:
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43           --cg arg                 coarse graining mapping and bond
44       definitions
45                                  (xml-file)
46           --map-ignore arg         list of molecules to ignore separated by ;
47           --no-map                 disable mapping and act on original
48       trajectory
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AUTHORS

52       Written and maintained by the VOTCA Development Team <devs@votca.org>
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57       Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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59       Licensed under the Apache License, Version 2.0 (the "License"); you may
60       not use this  file except in compliance with the License.  You may
61       obtain a copy of the License at
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63              http://www.apache.org/licenses/LICENSE-2.0
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65       Unless  required by applicable law or agreed to in writing, software
66       distributed under the License is distributed on an "AS IS" BASIS,
67       WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or
68       implied.   See  the  License  for  the  specific  language  governing
69       permissions and limitations under the License.
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74VOTCA Development Team      csg_dlptopol User Manual           CSG_DLPTOPOL(1)
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