On Wed, Jan 26, 2005, Vineet Pande wrote:
> I have been using AM1-BCC charge models by invoking ANTECHAMBER...I have a
> question- Does DIVCON also geometry-optimize the supplied molecule before
> generating AM1-BCC charges, or it just performs an SCF calculation on the
> geometry.
It does a geometry optimization first.
....dac
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Received on Fri Jan 28 2005 - 01:53:00 PST
