On Thu, Jun 30, 2005, Peter Gannett wrote:
>
> I'm trying to generate force field parms for a molecule that contains
> Zn(II) coordinated to a porphyrin.
> I run antechamber ....
I don't think there is any way to get antechamber to know about transition
metals. You might try using just the (deprotonated) free base porphyrin,
then add in the Zn atoms and parameters by hand as a second step.
....good luck...dac
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Received on Thu Jun 30 2005 - 22:53:00 PDT
