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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 writ- ten 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_dlptopol Create skeleton for dlpoly topology based on atomistic topology and a mapping file. 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-grain- ing). csg_gmxtopol Create skeleton for gromacs topology based on atomistic topology and a mapping file. csg_imc_solver Is internally called by inversion scripts to solve matrix equa- tion 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_property Helper program called by inverse scripts to parse xml file. csg_resample Changes grid + interval and interpolated any sort of table files. csg_reupdate Reform the relative entropy update in inverse scripts. csg_stat Calculates all kind of distribuions (bonded + non-bonded). AUTHORS Written and maintained by the VOTCA Development Team <devs@votca.org> COPYRIGHT Copyright 2009-2021 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 ob- tain 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, WITH- OUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License. VOTCA Development Team 2025/04/17 votca-csg(7)
NAME | DESCRIPTION | SYNOPSIS | AUTHORS | COPYRIGHT
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