biod.pnpi.spb.ru / alexxy / gromacs.git / commit
? search:
summary | shortlog | log | commit | commitdiff | tree
(parent: 1d33dec) | patch
Made ORCA compile.
authorJustin Lemkul <jalemkul@vt.edu>
Thu, 24 Apr 2014 14:45:41 +0000 (10:45 -0400)
committerJustin Lemkul <jalemkul@vt.edu>
Tue, 29 Apr 2014 10:11:42 +0000 (12:11 +0200)
commit53fc9d0eeb255ca9f17d454bd19445a30675bc33
treeef91a56e56abb4d68108998e3741bc8001cb6829tree | snapshot
parent1d33dec1ff75fd801a5d6c83e047c8849084d997commit | diff
Made ORCA compile.

There are probably larger issues here with the QM/MM interface.
I made no effort to test the validity of any simulation done with
ORCA (since I don't have ORCA and I don't do QM/MM), so issues
definitely remain.

Change-Id: Ibd5dd83d05a3b42c641f0fc9def75c4641e3a7d4
src/gromacs/mdlib/qmmm.c diff | blob | history
Local GROMACS mirror with custom stuff