1votca-csg(7)           Miscellaneous Information Manual           votca-csg(7)
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NAME

6       votca-csg - The VOTCA coarse-graining engine
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DESCRIPTION

10       Versatile  Object-oriented  Toolkit  for  Coarse-graining  Applications
11       (VOTCA) is a package intended to reduce the amount of routine work when
12       doing systematic coarse-graining of various systems.  The core is writ‐
13       ten in C++. Iterative methods are implemented using bash + perl.
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16       Please visit the program site at __http://www.votca.org__.
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SYNOPSIS

20       The following commands make up the votca-csg suite.   Please  refer  to
21       their individual man pages for further details.
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24       csg_boltzmann
25              Performs tasks that are needed for simple Boltzmann inversion in
26              an interactive environment.
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28       csg_call
29              Calls script from the interactive framework for the user.
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31       csg_density
32              Calculates all kind of density profiles.
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34       csg_dump
35              Prints atoms that are read from a topology file  to  help  debug
36              atom naming.
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38       csg_fmatch
39              Performs  force  matching  (also called multiscale coarse-grain‐
40              ing).
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42       csg_gmxtopol
43              Create skeleton for gromacs topology based on atomistic topology
44              and a mapping file.
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46       csg_imcrepack
47              Is  internally  called  by  inversion  scripts  to kick out zero
48              entries in the matrix for inverse Monte Carlo (imc).
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50       csg_inverse
51              Starts the script to run iterative Boltzmann  inverse  (ibi)  or
52              inverse Monte Carlo (imc), etc.
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54       csg_map
55              Map a reference trajectory to a coarse-grained trajectory.
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57       csg_part_dist
58              Outputs  the time-averaged number of particles, listed by parti‐
59              cle types.
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61       csg_property
62              Helper program called by inverse scripts to parse xml file.
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64       csg_resample
65              Changes grid + interval  and  interpolated  any  sort  of  table
66              files.
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68       csg_stat
69              Calculates  all kind of distribuions  (bonded + non-bonded).
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71       multi_g_rdf
72              A multiplexed version of g_rdf
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AUTHORS

76       Written and maintained by the VOTCA Development Team <devs@votca.org>
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79       This  Manual  Page  converted  from  t2t  format  to the this format by
80       txt2tags (http://txt2tags.org) !
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84       Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
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87       Licensed under the Apache License, Version 2.0 (the "License"); you may
88       not  use  this  file  except  in  compliance with the License.  You may
89       obtain a copy of the License at
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92           http://www.apache.org/licenses/LICENSE-2.0
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95       Unless required by applicable law or agreed  to  in  writing,  software
96       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
97       OUT WARRANTIES OR CONDITIONS OF ANY KIND, either  express  or  implied.
98       See  the  License  for  the specific language governing permissions and
99       limitations under the License.
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106VOTCA Development Team            31/01/2019                      votca-csg(7)
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