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

10       csg_stat [OPTION] [OPTIONPARAMETERS]
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DESCRIPTION

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

25       Allowed options:
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28       -h [ --help ]
29              display this help and exit
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31       -v [ --verbose ]
32              be loud and noisy
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34       --top arg
35              atomistic topology file
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38       Mapping options:
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41       --cg arg
42              [OPTIONAL]   coarse   graining   mapping  and  bond  definitions
43              (xml-file). If no file is given, program acts on  original  tra‐
44              jectory
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46       --map-ignore arg
47              list of molecules to ignore if mapping is done separated by ;
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50       Specific options:
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53       --options arg
54              options file for coarse graining
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56       --do-imc
57              write out additional Inverse Monte Carlo data
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59       --block-length arg
60              write  blocks  of  this  length,  the averages are cleared after
61              every write
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63       --ext arg (=dist.new)
64              Extension of the output
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67       Threading options:
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70       --nt arg (=1)
71              number of threads
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74       Trajectory options:
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77       --trj arg
78              atomistic trajectory file
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80       --begin arg (=0)
81              skip frames before this time (only works for Gromacs files)
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83       --first-frame arg (=0)
84              start with this frame
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86       --nframes arg
87              process the given number of frames
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AUTHORS

91       Written and maintained by the VOTCA Development Team <devs@votca.org>
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94       This Manual Page was converted from t2t format to the  this  format  by
95       txt2tags  (http://txt2tags.org)  !   The  t2t  file  was extracted from
96       'csg_stat --help' by help2t2t (version 1.5.1 )
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100       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
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103       Licensed under the Apache License, Version 2.0 (the "License"); you may
104       not  use  this  file  except  in  compliance with the License.  You may
105       obtain a copy of the License at
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108           http://www.apache.org/licenses/LICENSE-2.0
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111       Unless required by applicable law or agreed  to  in  writing,  software
112       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
113       OUT WARRANTIES OR CONDITIONS OF ANY KIND, either  express  or  implied.
114       See  the  License  for  the specific language governing permissions and
115       limitations under the License.
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122Version: 1.5.1                2019-11-22 00:00:00                  csg_stat(1)
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