Gromacs

GROMACS related projects

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    The table below contains description of GROMACS related projects that may be considered for inclusion in the officially released packages. If your group is working on extending the GROMACS functionality, please add information to the table.

    "Project Status" field should include information such as:

    • Is the project currently 'scientifically' stable? Does it generate reliable results?
    • Does it work in parallel? Does it affect the performance?
    • Does it contain full documentation?

     

    "GROMACS version" is the version against which the code works

     

    Project Name Description Developers names GROMACS
    version
    Status Prefered Release Date
    Computational electrophysiology Supports position exchanges between ions and water to maintain a concentration gradient in a doublemembrane system in the presence of channels. Please see http://www.mpibpc.mpg.de/home/grubmu...hysics/CompEL/ for details. Carsten Kutzner 4.5, can be checked out from the comp_el branch. Stable, works in parallel, performance impact usually negligible, but depends on the frequency of exchange attempts. Documentation is available.  Could be merged at any time, however, it requires changes to the tpr and cpt file formats.
               
               
               
               
               
               
               
               
    Page last modified 16:33, 1 Feb 2012 by carsten