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freebsd-ports/science/plumed/pkg-descr
2020-05-04 19:55:51 +00:00

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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.
WWW: https://www.plumed.org/