votca-csg man page

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) !

Info

29/10/2016 VOTCA Development Team