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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.
Giovanni Bussi authoredI 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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