How to use QM/MM in NWchem to calculate the force field parameters?


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Just Got Here
3:19:00 AM PST - Tue, Feb 28th 2012
Dear all,

I want to calculate some force field parameters, like charges, bonds, angles, I believe that NWchem can do it. But I don't have a general idea of how to extract these parameters from a QM/MM calculations, so could someone give me some suggestions? Each advice will be highly appreciated.

Best Regards,