Quoting Syed Tarique Moin <tarisyed.yahoo.com>:
> I want to calculate RESP of copper bonded with
> histidine,
>
> ESP calculation is carried out after geometry
> optimization at the HF-3-61G*, Now i want to calculate
> RESP but resp module of amber won't be able to
> recognize copper.
I think RESP can fit RESP or ESP charges for Cu.
regards, Francois
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Received on Sun Feb 03 2008 - 06:07:12 PST
