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_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-graining).

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 equation 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>

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Info

04/12/2019 VOTCA Development Team