[gmx-users] gromacs with gaussian 09

ilona.baldus at bioquant.uni-heidelberg.de ilona.baldus at bioquant.uni-heidelberg.de
Fri Nov 20 18:49:29 CET 2009


Hello,

Has anyone amongst you tried if the Gaussian implementation also works  
for Gaussian 09? We were considering to get it, but it only makes  
sense for us if we can use it for Gromacs-Gaussian qmmm calculations.

Have you experienced any other obstacles than variables being renamed?

Cheers, Ilona



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