[gmx-users] QMMM with GROMACS and DFTB3

dgfd dgdfg roinato at mail.ru
Tue Mar 27 18:54:14 CEST 2018

It seems that ORCA compatible with latest GROMACS if I correctly understand meaning of "//". Look in  CMakeCache.txt file in the installer.

//QM package for QM/MM. Pick one of: none, gaussian, mopac, gamess,
// orca

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