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

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

17       The following commands make up the votca-csg suite.   Please  refer  to
18       their individual man pages for further details.
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21       csg_boltzmann
22              Performs tasks that are needed for simple Boltzmann inversion in
23              an interactive environment.
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25       csg_call
26              Calls script from the interactive framework for the user.
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28       csg_density
29              Calculates all kind of density profiles.
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31       csg_dlptopol
32              Create skeleton for dlpoly topology based on atomistic  topology
33              and a mapping file.
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35       csg_dump
36              Prints  atoms  that  are read from a topology file to help debug
37              atom naming.
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39       csg_fmatch
40              Performs force matching (also  called  multiscale  coarse-grain‐
41              ing).
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43       csg_gmxtopol
44              Create skeleton for gromacs topology based on atomistic topology
45              and a mapping file.
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47       csg_imc_solver
48              Is internally called by inversion scripts to solve matrix  equa‐
49              tion for inverse Monte Carlo (imc).
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51       csg_inverse
52              Starts  the  script  to run iterative Boltzmann inverse (ibi) or
53              inverse Monte Carlo (imc), etc.
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55       csg_map
56              Map a reference trajectory to a coarse-grained trajectory.
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58       csg_property
59              Helper program called by inverse scripts to parse xml file.
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61       csg_resample
62              Changes grid + interval  and  interpolated  any  sort  of  table
63              files.
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65       csg_reupdate
66              Reform the relative entropy update in inverse scripts.
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68       csg_stat
69              Calculates  all kind of distribuions  (bonded + non-bonded).
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AUTHORS

73       Written and maintained by the VOTCA Development Team <devs@votca.org>
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75       This  Manual  Page  converted  from  t2t  format  to the this format by
76       txt2tags (http://txt2tags.org) !
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79       Copyright 2009-2019 The VOTCA Development Team (http://www.votca.org)
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81       Licensed under the Apache License, Version 2.0 (the "License"); you may
82       not  use  this file except in compliance with the License.  You may ob‐
83       tain a copy of the License at
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85           http://www.apache.org/licenses/LICENSE-2.0
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87       Unless required by applicable law or agreed  to  in  writing,  software
88       distributed under the License is distributed on an "AS IS" BASIS, WITH‐
89       OUT WARRANTIES OR CONDITIONS OF ANY KIND, either  express  or  implied.
90       See  the  License  for  the specific language governing permissions and
91       limitations under the License.
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96VOTCA Development Team            2021/09/20                      votca-csg(7)
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