Supported Applications


  • 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.

  • 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