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