1CSG_BOLTZMANN(1) General Commands Manual CSG_BOLTZMANN(1)
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6 csg_boltzmann - Part of the VOTCA package
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11 csg_boltzmann [OPTIONS]
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13 csg_boltzmann [--help]
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18 Performs tasks that are needed for simple boltzmann inversion in an
19 interactive environment.
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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
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34 Mapping options:
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36 --cg arg coarse graining mapping and bond
37 definitions
38 (xml-file)
39 --map-ignore arg list of molecules to ignore separated by ;
40 --no-map disable mapping and act on original
41 trajectory
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43 Special options:
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45 --excl arg write atomistic exclusion list to file
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47 Trajectory options:
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49 --trj arg atomistic trajectory file
50 --begin arg (=0) skip frames before this time (only works
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52 Gromacs files)
53 --first-frame arg (=0) start with this frame
54 --nframes arg process the given number of frames
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58 Written and maintained by the VOTCA Development Team <devs@votca.org>
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63 Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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65 Licensed under the Apache License, Version 2.0 (the "License"); you may
66 not use this file except in compliance with the License. You may
67 obtain a copy of the License at
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69 http://www.apache.org/licenses/LICENSE-2.0
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71 Unless required by applicable law or agreed to in writing, software
72 distributed under the License is distributed on an "AS IS" BASIS,
73 WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or
74 implied. See the License for the specific language governing
75 permissions and limitations under the License.
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80VOTCA Development Team csg_boltzmann User Manual CSG_BOLTZMANN(1)