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

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

18       computes relative entropy update.
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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 (only
32       needed for
33                                           RE update)
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35       RE Specific options:
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37         --options arg                       options file for coarse graining
38         --gentable arg (=0)                 only generate potential tables
39       from given
40                                           parameters,   NO RE update!
41         --interaction arg                  [OPTIONAL] generate potential
42       tables only
43                                           for the specified interactions,
44                                            only valid when 'gentable' is true
45         --param-in-ext arg (=param.cur)     Extension of the input parameter
46       tables
47         --param-out-ext arg (=param.new)    Extension of the output parameter
48       tables
49         --pot-out-ext arg (=pot.new)        Extension of the output potential
50       tables
51         --hessian-check arg (=1)            Disable the hessian check (mostly
52       for
53                                           testing)
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55       Threading options:
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57         --nt arg (=1)                       number of threads
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59       Trajectory options:
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61         --trj arg                           atomistic trajectory file
62         --begin arg (=0)                    skip frames before this time
63       (only works
64                                           for Gromacs files)
65         --first-frame arg (=0)              start with this frame
66         --nframes arg                       process the given number of
67       frames
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AUTHORS

71       Written and maintained by the VOTCA Development Team <devs@votca.org>
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76       Copyright 2009-2021 The VOTCA Development Team (http://www.votca.org)
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78       Licensed under the Apache License, Version 2.0 (the "License"); you may
79       not use this  file except in compliance with the License.  You may
80       obtain a copy of the License at
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82              http://www.apache.org/licenses/LICENSE-2.0
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84       Unless  required by applicable law or agreed to in writing, software
85       distributed under the License is distributed on an "AS IS" BASIS,
86       WITHOUT WARRANTIES OR CONDITIONS OF ANY  KIND, either  express  or
87       implied.   See  the  License  for  the  specific  language  governing
88       permissions and limitations under the License.
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93VOTCA Development Team      csg_reupdate User Manual           CSG_REUPDATE(1)
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