bionic (7) votca-csg.7.gz

Provided by: libvotca-csg4_1.4.1-1build1_amd64 bug

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.