On Mon, May 19, 2014, giulia palermo wrote:
>
> I am parametrizing a molecule containing one Gold (Au+). The gold atom is
> bonded to a Phosphorus and to the nitrogen of a histidine. Thus, I am
> dealing with this bond: N-Au=P.
You can't do this: antechamber doesn't know enough about metals. The program
should give better error messages when it finds atoms it doesn't know about.
I think the next version of GAFF will cover more elements.
...dac
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Received on Mon May 19 2014 - 05:00:03 PDT
