[gmx-users] QM/MM code?

[Ran Friedman]

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.

Ran.

Gerrit Groenhof wrote:

>>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
>
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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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