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Supported Applications

PLUMED

  • Description

    PLUMED is an open source library for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics 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.

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  2.3.3
    OS X INTEL:  2.3.3

  • Other Available Versions

      Linux 64:

      2.3.0, 2.2.4
    • OS X INTEL:

      2.3.0, 2.2.4
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