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

9       csg_stat [OPTION] [OPTIONPARAMETERS]
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DESCRIPTION

12       Calculate  all  distributions  (bonded  and  non-bonded)  specified  in
13       options file.  Optionally calculates update Eigen::Matrix3d for  invere
14       Monte  Carlo. This program is called inside the inverse scripts. Unlike
15       csg_boltzmann, big systems can be treated as well as non-bonded  inter‐
16       actions can be evaluated.
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18       Please visit the program site at __http://www.votca.org__.
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OPTIONS

21       Allowed options:
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24       -h [ --help ]
25              display this help and exit
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27       --verbose
28              be loud and noisy
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30       --verbose1
31              be very loud and noisy
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33       -v [ --verbose2 ]
34              be extremly loud and noisy
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36       --top arg
37              atomistic topology file
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39
40       Mapping options:
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43       --cg arg
44              [OPTIONAL]   coarse   graining   mapping  and  bond  definitions
45              (xml-file). If no file is given, program acts on  original  tra‐
46              jectory
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48       --map-ignore arg
49              list of molecules to ignore if mapping is done separated by ;
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51
52       Specific options:
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55       --options arg
56              options file for coarse graining
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58       --do-imc
59              write out additional Inverse Monte Carlo data
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61       --block-length arg
62              write  blocks  of  this  length,  the averages are cleared after
63              every write
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65       --ext arg (=dist.new)
66              Extension of the output
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69       Threading options:
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72       --nt arg (=1)
73              number of threads
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76       Trajectory options:
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79       --trj arg
80              atomistic trajectory file
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82       --begin arg (=0)
83              skip frames before this time (only works for Gromacs files)
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85       --first-frame arg (=0)
86              start with this frame
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88       --nframes arg
89              process the given number of frames
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AUTHORS

93       Written and maintained by the VOTCA Development Team <devs@votca.org>
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95       This Manual Page was converted from t2t format to the  this  format  by
96       txt2tags  (http://txt2tags.org)  !   The  t2t  file  was extracted from
97       'csg_stat --help' by help2t2t (version 2021 )
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100       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
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102       Licensed under the Apache License, Version 2.0 (the "License"); you may
103       not  use  this  file  except  in  compliance with the License.  You may
104       obtain a copy of the License at
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106           http://www.apache.org/licenses/LICENSE-2.0
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108       Unless required by applicable law or agreed  to  in  writing,  software
109       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
110       OUT WARRANTIES OR CONDITIONS OF ANY KIND, either  express  or  implied.
111       See  the  License  for  the specific language governing permissions and
112       limitations under the License.
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117Version: 2021                 2021-03-13 00:00:00                  csg_stat(1)
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