[gmx-users] GROMACS API?
benfrantzdale at gmail.com
Tue Feb 6 23:57:44 CET 2007
I am interested in using GROMACS as a library. I get the impression from its
use in Folding at Home that this is possible, but I don't see any documentation
on the subject. Is there a C/C++ API for GROMACS so that I could initialize
GROMACS with an MPI communicator then send it jobs to process? If so, did I
just not find the documentation?
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