1CSG_GMXTOPOL(1) General Commands Manual CSG_GMXTOPOL(1)
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6 csg_gmxtopol - Part of the VOTCA package
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11 csg_gmxtopol [OPTIONS]
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13 csg_gmxtopol [--help]
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18 Create skeleton for gromacs topology based on atomistic topology and a
19 mapping file. File still needs to be modified by the user.
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26 Allowed options:
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28 -h [ --help ] display this help and exit
29 --verbose be loud and noisy
30 --verbose1 be very loud and noisy
31 -v [ --verbose2 ] be extremly loud and noisy
32 --top arg atomistic topology file
33 --out arg output topology (will create .top and in
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35 .itp)
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37 Mapping options:
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39 --cg arg coarse graining mapping and bond definitions
40 (xml-file)
41 --map-ignore arg list of molecules to ignore separated by ;
42 --no-map disable mapping and act on original
43 trajectory
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47 Written and maintained by the VOTCA Development Team <devs@votca.org>
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52 Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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54 Licensed under the Apache License, Version 2.0 (the "License"); you may
55 not use this file except in compliance with the License. You may
56 obtain a copy of the License at
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58 http://www.apache.org/licenses/LICENSE-2.0
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60 Unless required by applicable law or agreed to in writing, software
61 distributed under the License is distributed on an "AS IS" BASIS,
62 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
63 implied. See the License for the specific language governing
64 permissions and limitations under the License.
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69VOTCA Development Team csg_gmxtopol User Manual CSG_GMXTOPOL(1)