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SBGridTV

Supported Applications

PLUMED

  • Description

    an open source library for free energy calculations in molecular systems that works with some of the most popular molecular dynamics engines. Perform free energy calculations 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.

  • Primary Citation*

    G. A. Tribello, M. Bonomi, D. Branduardi, C. Camilloni, and G. Bussi. 2014. PLUMED 2: New feathers for an old bird. Computer Physics Communications. 185(2): 604-613.


    • *Full citation information available through

  • Webinars

    Topic: Analyzing and enhancing molecular dynamics simulations with PLUMED
    Presenters: Giovanni Bussi -- Associate Professor, SISSA, Trieste, Italy
    Massimiliano Bonomi -- Postdoc, University of Cambridge, Vendruscolo Group

    Recorded on May 22, 2018
    Host: Jason Key

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  2.4.1
    OS X INTEL:  2.4.1

  • Other Available Versions

      Linux 64:

      2.3.3, 2.3.0
    • OS X INTEL:

      2.3.3, 2.3.0
  • Developers

    Max Bonomi, Giovanni Bussi, Carlo Camilloni, Gareth Tribello.
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