./math/plumed, Molecular dynamics support library

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Branch: pkgsrc-2022Q3, Version: 2.8.0nb1, Package name: plumed-2.8.0nb1, Maintainer: thor

PLUMED is an open-source, community-developed library that provides a
wide range of different methods, which include:

enhanced-sampling algorithms free-energy methods tools to analyze the
vast amounts of data produced by molecular dynamics (MD) simulations.

These techniques can be used in combination with a large toolbox
of collective variables that describe complex processes in physics,
chemistry, material science, and biology.

Master sites:

Filesize: 105107.647 KB

Version history: (Expand)