[gmx-users] QM/MM code?

[Gerrit Groenhof]

> 
> 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,

Gerrit