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SBGridTV

Supported Applications

GROMACS

  • Description

    a versatile package that performs molecular dynamics of proteins, lipids and nucleic acids.

  • Primary Citation*

    S. Pronk, S. Páll, R. Schulz, P. Larsson, P. Bjelkmar, R. Apostolov, M. R. Shirts, J. C. Smith, P. M. Kasson, D. van der Spoel, B. Hess, and E. Lindahl. 2013. GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit. Bioinformatics. 29(7): 845-854.


    • *Full citation information available through

  • Webinars

    Topic: Molecular Simulations with GROMACS: Possibilities and Pitfalls
    Presenter: Erik Lindahl, Professor, Stockholm University and KTH Royal Institute of Technology

    Date Recorded: May 28, 2015
    Host: Jason Key

  • Categories

    Computational Chemistry

  • Default Versions

    Linux 64:  5.1.2
    OS X INTEL:  5.1.2

  • Other Available Versions

      Linux 32:

      4.6, 4.5.5, 4.0.5, 3.3.1
    • Linux 64:

      5.1.4, 5.1.1, 5.1, 2016.3_CentOS7, 2016.3_CentOS6, 2016.3
    • OS X INTEL:

      5.1_gcc, 5.1.4, 5.1.1, 5.1, 2016.3
    • powermac:

      4.0.5, 3.3
  • Developers

    Berk Hess, Erik Lindahl, David Van der Spoel.

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