[Debichem-devel] Possible new package: GromPy

Michael Banck mbanck at debian.org
Thu Mar 1 16:53:57 UTC 2012


Hi,

I just saw an article (http://dx.doi.org/10.1002/jcc.22947) on GromPy
(https://github.com/GromPy), a python interface to Gromacs.

Apparently, it needs a patched Gromacs to work, the patch is here:
https://github.com/GromPy/GromPy/blob/master/gromacs/gromacs-4.0.7/grompy_4.0.7_patch.diff

Also, I don't find any licensing information for now, and I have not
read the paper yet, so just mentioning here in case it might be
interesting.
 

Michael



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