1csg_reupdate(1)             General Commands Manual            csg_reupdate(1)
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NAME

6       csg_reupdate - Part of the VOTCA package
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SYNOPSIS

9       csg_reupdate [OPTION] [OPTIONPARAMETERS]
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DESCRIPTION

12       computes relative entropy update.
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14       Please visit the program site at __http://www.votca.org__.
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OPTIONS

17       Allowed options:
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20       -h [ --help ]
21              display this help and exit
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23       --verbose
24              be loud and noisy
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26       --verbose1
27              be very loud and noisy
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29       -v [ --verbose2 ]
30              be extremly loud and noisy
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32       --top arg
33              atomistic topology file (only needed for RE update)
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35              RE Specific options:
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37       --options arg
38              options file for coarse graining
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40       --gentable arg (=0)
41              only  generate  potential  tables from given parameters,   NO RE
42              update!
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44       --interaction arg
45              [OPTIONAL] generate potential tables only for the specified  in‐
46              teractions, only valid when 'gentable' is true
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48       --param-in-ext arg (=param.cur)
49              Extension of the input parameter tables
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51       --param-out-ext arg (=param.new)
52              Extension of the output parameter tables
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54       --pot-out-ext arg (=pot.new)
55              Extension of the output potential tables
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57       --hessian-check arg (=1)
58              Disable the hessian check (mostly for testing)
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61       Threading options:
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64       --nt arg (=1)
65              number of threads
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68       Trajectory options:
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71       --trj arg
72              atomistic trajectory file
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74       --begin arg (=0)
75              skip frames before this time (only works for Gromacs files)
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77       --first-frame arg (=0)
78              start with this frame
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80       --nframes arg
81              process the given number of frames
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AUTHORS

85       Written and maintained by the VOTCA Development Team <devs@votca.org>
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87       This  Manual  Page  was converted from t2t format to the this format by
88       txt2tags (http://txt2tags.org) !   The  t2t  file  was  extracted  from
89       'csg_reupdate --help' by help2t2t (version 2021.2 )
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92       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
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94       Licensed under the Apache License, Version 2.0 (the "License"); you may
95       not use this file except in compliance with the License.  You  may  ob‐
96       tain a copy of the License at
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98           http://www.apache.org/licenses/LICENSE-2.0
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100       Unless  required  by  applicable  law or agreed to in writing, software
101       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
102       OUT  WARRANTIES  OR  CONDITIONS OF ANY KIND, either express or implied.
103       See the License for the specific  language  governing  permissions  and
104       limitations under the License.
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109Version: 2021.2               2021-09-20 00:00:00              csg_reupdate(1)
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