[gmx-users] QM/MM code?

Ran Friedman ran at hemi.tau.ac.il
Thu Jul 22 21:24:51 CEST 2004

Sishi - in case you try using the code with g98, I'd appreciate it if you could let the list know if that's working.


Gerrit Groenhof wrote:

>>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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Ran Friedman
Laser Laboratory for Fast Reactions in Biology
Department of Biochemistry
Faculty of Life Sciences
Tel-Aviv University
Tel. +972-3-6409824
Fax. +972-3-6409875

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