[gmx-users] QM/MM code?

Gerrit Groenhof G.Groenhof at chem.rug.nl
Thu Jul 22 14:03:09 CEST 2004

> Hi,
> I have a question on the newly-implemented QM/MM code of GROMACS: Is it 
> compatible with g0X only, or with g98 as well?

I simply don't know. It could be, but you have to try.

I have never used gaussian98 myself. The interface was written for the
unofficial gaussian01, which became the official gaussian03. I have
tested with gaussian03, and that worked.

Good luck,


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