[gmx-users] Gromacs 5.0.4 with Gaussian09 QM/MM interface

Katarzyna Czarnecka katarzyna.czarnecka at pwr.edu.pl
Tue May 12 12:03:03 CEST 2015

Dear All,

I'm intending to perform QM/MM calculations with Gromacs 5.0.4 and Gaussian09.
As I understand I need to make modifications in some Gaussian files. I've found instructions for that (http://wwwuser.gwdg.de/~ggroenh/roadmap.pdf) but they consider Gaussian03.
Can someone write me what modifications are required for G09 or show me where I can find similar instructions for Gaussian09?

Katarzyna Czarnecka

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