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

10       csg_dlptopol [OPTION] [OPTIONPARAMETERS]
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DESCRIPTION

14       Create  a  dlpoly  topology  template  based on an existing (atomistic)
15       topology and a mapping xml-file. The created template file needs to  be
16       inspected and amended by the user!
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19       Please visit the program site at __http://www.votca.org__.
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OPTIONS

23       Allowed options:
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26       -h [ --help ]
27              display this help and exit
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29       -v [ --verbose ]
30              be loud and noisy
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32       --top arg
33              atomistic topology file
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35       --out arg
36              output topology in dlpoly format
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39       Mapping options:
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42       --cg arg
43              coarse graining mapping and bond definitions (xml-file)
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45       --map-ignore arg
46              list of molecules to ignore separated by ;
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48       --no-map
49              disable mapping and act on original trajectory
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EXAMPLES

53              ·  csg_dlptopol  --top .dlpf --out .dlpf --cg cg-map.xml convert
54                 FIELD to FIELD_CGV using cg-map.xml
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56              ·  csg_dlptopol --top FA-dlpoly.dlpf --out  CG-dlpoly.dlpf  --cg
57                 cg-map.xml
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59              ·  csg_dlptopol   --top   FA-gromacs.tpr   --out  FA-dlpoly.dlpf
60                 --no-map
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AUTHORS

64       Written and maintained by the VOTCA Development Team <devs@votca.org>
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67       This Manual Page was converted from t2t format to the  this  format  by
68       txt2tags  (http://txt2tags.org)  !   The  t2t  file  was extracted from
69       'csg_dlptopol --help' by help2t2t (version 1.5 )
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73       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
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76       Licensed under the Apache License, Version 2.0 (the "License"); you may
77       not  use  this  file  except  in  compliance with the License.  You may
78       obtain a copy of the License at
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81           http://www.apache.org/licenses/LICENSE-2.0
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84       Unless required by applicable law or agreed  to  in  writing,  software
85       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
86       OUT WARRANTIES OR CONDITIONS OF ANY KIND, either  express  or  implied.
87       See  the  License  for  the specific language governing permissions and
88       limitations under the License.
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95Version: 1.5                  2019-02-17 00:15:52              csg_dlptopol(1)
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