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    afd1b872
    Added interface to Gromacs-like Replica EXchange · afd1b872
    Giovanni Bussi authored
    I am starting to merge my GREX branch, which should be
    general enough to be used in any REX framework where
    coordinates are swapped (a-la-gromacs). Since GREX
    significantly modifies the MD-PLUMED interface through
    the addition of several new cmd(), I tried to encapsulate
    it as a separate objects with a cmd()-like interface.
    Commands from MD starting with GREX are automatically
    forwarded to that object. E.g.
    plumed_cmd(plumed,"GREX init",NULL);
    or so should initialize the GREX object, etc.
    
    Up to this point I just upload the interface, later
    on I will add the real GREX object, for which I still
    have to do some cleaning.
    afd1b872
    History
    Added interface to Gromacs-like Replica EXchange
    Giovanni Bussi authored
    I am starting to merge my GREX branch, which should be
    general enough to be used in any REX framework where
    coordinates are swapped (a-la-gromacs). Since GREX
    significantly modifies the MD-PLUMED interface through
    the addition of several new cmd(), I tried to encapsulate
    it as a separate objects with a cmd()-like interface.
    Commands from MD starting with GREX are automatically
    forwarded to that object. E.g.
    plumed_cmd(plumed,"GREX init",NULL);
    or so should initialize the GREX object, etc.
    
    Up to this point I just upload the interface, later
    on I will add the real GREX object, for which I still
    have to do some cleaning.
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