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votca-csg - The VOTCA coarse-graining engine

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

NAME

votca-csg - The VOTCA coarse-graining engine
 

DESCRIPTION

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

SYNOPSIS

The following commands make up the votca-csg suite. Please refer to their individual man pages for further details.
 
csg_boltzmann
Performs tasks that are needed for simple Boltzmann inversion in an interactive environment.
csg_call
Calls script from the interactive framework for the user.
csg_density
Calculates all kind of density profiles.
csg_dump
Prints atoms that are read from a topology file to help debug atom naming.
csg_fmatch
Performs force matching (also called multiscale coarse-graining).
csg_gmxtopol
Create skeleton for gromacs topology based on atomistic topology and a mapping file.
csg_imcrepack
Is internally called by inversion scripts to kick out zero entries in the matrix for inverse Monte Carlo (imc).
csg_inverse
Starts the script to run iterative Boltzmann inverse (ibi) or inverse Monte Carlo (imc), etc.
csg_map
Map a reference trajectory to a coarse-grained trajectory.
csg_part_dist
Outputs the time-averaged number of particles, listed by particle types.
csg_property
Helper program called by inverse scripts to parse xml file.
csg_resample
Changes grid + interval and interpolated any sort of table files.
csg_stat
Calculates all kind of distribuions (bonded + non-bonded).
multi_g_rdf
A multiplexed version of g_rdf
 

AUTHORS

Written and maintained by the VOTCA Development Team <devs@votca.org>
 
This Manual Page converted from t2t format to the this format by txt2tags (http://txt2tags.org) !
 
Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)
 
Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at
 

http://www.apache.org/licenses/LICENSE-2.0
 
Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.
 
15/01/2016 VOTCA Development Team