Can someone verify that the AM1 atomic charges (to which the bond
charge corrections are applied) used in Antechamber's AM1-bcc charge
fitting algorithm are in fact Mulliken charges from an AM1
calculation? If so, does Antechamber perform a single point
calculation on the inputted molecule, or does it do any energy
minimization?
Thanks!
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Evan Kelly
ebkelly.ualberta.ca
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Received on Wed Feb 28 2007 - 06:07:41 PST
