[Debichem-devel] Bug#795110: ITP: plumed -- Free Energy Module for Molecular Dynamics Packages

[Michael Banck]

Package: wnpp
Severity: wishlist
Owner: Debichem Team <debichem-devel at 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.