1CSG_STAT(1)                 General Commands Manual                CSG_STAT(1)
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NAME

6       csg_stat - Part of the VOTCA package
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SYNOPSIS

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

18       Calculate all distributions (bonded and non-bonded) specified in
19       options file.  Optionally calculates update Eigen::Matrix3d for invere
20       Monte Carlo. This program is called inside the inverse scripts. Unlike
21       csg_boltzmann, big systems can be treated as well as non-bonded
22       interactions can be evaluated.
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OPTIONS

29       Allowed options:
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31         -h [ --help ]             display this help and exit
32         --verbose                 be loud and noisy
33         --verbose1                be very loud and noisy
34         -v [ --verbose2 ]         be extremly loud and noisy
35         --top arg                 atomistic topology file
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37       Mapping options:
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39         --cg arg                  [OPTIONAL] coarse graining mapping and bond
40                                 definitions
41                                   (xml-file). If no file is given, program
42       acts on
43                                 original trajectory
44         --map-ignore arg          list of molecules to ignore if mapping is
45       done
46                                 separated by ;
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48       Specific options:
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50         --options arg             options file for coarse graining
51         --do-imc                  write out additional Inverse Monte Carlo
52       data
53         --include-intra           do not exclude intramolecular neighbors
54         --block-length arg        write blocks of this length, the averages
55       are
56                                 cleared after every write
57         --ext arg (=dist.new)   Extension of the output
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59       Threading options:
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61         --nt arg (=1)             number of threads
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63       Trajectory options:
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65         --trj arg                 atomistic trajectory file
66         --begin arg (=0)          skip frames before this time (only works
67       for
68                                 Gromacs files)
69         --first-frame arg (=0)    start with this frame
70         --nframes arg             process the given number of frames
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AUTHORS

74       Written and maintained by the VOTCA Development Team <devs@votca.org>
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79       Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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81       Licensed under the Apache License, Version 2.0 (the "License"); you may
82       not use this  file except in compliance with the License.  You may
83       obtain a copy of the License at
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85              http://www.apache.org/licenses/LICENSE-2.0
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87       Unless  required by applicable law or agreed to in writing, software
88       distributed under the License is distributed on an "AS IS" BASIS,
89       WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or
90       implied.   See  the  License  for  the  specific  language  governing
91       permissions and limitations under the License.
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96VOTCA Development Team        csg_stat User Manual                 CSG_STAT(1)
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