Jason,
In our previous discussions we were focusing on using ff10. I have to
simulate expilicitly DNA+ligand system. Using RESP program the partial
atomic charges on the ligand can be derived. But I couldn't find
information regarding how the partial atomic charges are parameterized in
ff10. Are they done in the same way as in ff99 using HF/6-31G*? Is
there any article which I can refer to?
Thanks,
mani
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Received on Tue Aug 16 2011 - 19:30:02 PDT
