1CSG_PARTIAL_RDF(1)          General Commands Manual         CSG_PARTIAL_RDF(1)
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NAME

6       csg_partial_rdf - Part of the VOTCA package
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SYNOPSIS

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

18       Calculate spatially confined rdfs
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OPTIONS

25       Allowed options:
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27         -h [ --help ]             display this help and exit
28         --verbose                 be loud and noisy
29         --verbose1                be very loud and noisy
30         -v [ --verbose2 ]         be extremly loud and noisy
31         --top arg                 atomistic topology file
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33       Mapping options:
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35         --cg arg                  [OPTIONAL] coarse graining mapping and bond
36                                 definitions
37                                   (xml-file). If no file is given, program
38       acts on
39                                 original trajectory
40         --map-ignore arg          list of molecules to ignore if mapping is
41       done
42                                 separated by ;
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44       Specific options:
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46         --options arg             options file defining the rdfs
47         --subvolume_radius arg  Rdf calc. in spherical subvolume of this
48       radius (from
49                                 center of box)
50         --do-vol-corr           Correct for subvolume truncation in rdf
51         --write-every arg        (UNIMPLEMENTED) write after every block of
52       this
53                                 length, if --blocking   is set, the averages
54       are
55                                 cleared after every output
56         --do-blocks               write output for blocking analysis
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58       Threading options:
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60         --nt arg (=1)             number of threads
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62       Trajectory options:
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64         --trj arg                 atomistic trajectory file
65         --begin arg (=0)          skip frames before this time (only works
66       for
67                                 Gromacs files)
68         --first-frame arg (=0)    start with this frame
69         --nframes arg             process the given number of frames
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AUTHORS

73       Written and maintained by the VOTCA Development Team <devs@votca.org>
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78       Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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80       Licensed under the Apache License, Version 2.0 (the "License"); you may
81       not use this  file except in compliance with the License.  You may
82       obtain a copy of the License at
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84              http://www.apache.org/licenses/LICENSE-2.0
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86       Unless  required by applicable law or agreed to in writing, software
87       distributed under the License is distributed on an "AS IS" BASIS,
88       WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or
89       implied.   See  the  License  for  the  specific  language  governing
90       permissions and limitations under the License.
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95VOTCA Development Team    csg_partial_rdf User Manual       CSG_PARTIAL_RDF(1)
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