Bug#795110: ITP: plumed -- Free Energy Module for Molecular Dynamics Packages
Package: wnpp
Severity: wishlist
Owner: Debichem Team <debichem-devel@lists.alioth.debian.org>
* Package name : plumed
Version : 2.1.3
Upstream Author : The plumed team
* URL : http://www.plumed-code.org/
* License : LGPLv2+
Programming Lang: C++
Description : Free Energy Module for Molecular Dynamics Packages
PLUMED is a library for free energy calculations in molecular systems
which integrates together with some of the most popular molecular
dynamics (MD) engines. Free energy calculations can be performed as a
function of many order parameters with a particular focus on biological
problems, using state of the art methods such as metadynamics, umbrella
sampling and Jarzynski-equation based steered MD.
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