[gmx-users] using Gaussian with Gromacs

oguz gurbulak gurbulakoguz at yahoo.com
Sun Mar 29 12:25:17 CEST 2009


Dear All,
 
I want to use the partial charges that were generated with Gaussian 3 for my molecules. How can I adopt the charges into the Gromacs ? Could you give me some information about this procedure ?
 
Sincerely,
 


      
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