Colvin,
> thanks for the clarification! However, back to my question, why the
> resp program in antechamber can't perform the fitting for my molecule?
Antechamber does RESP charge fitting; concerning multiple conformation
and/or multiple orientation, I am not sure... or you have to adapt
some steps manually.
regards, Francois
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Received on Wed Jun 30 2010 - 08:00:05 PDT
