AMBER Archive (2005)

Subject: AMBER: ANTECHAMBER & DIVCON

From: Vineet Pande (pande_vineet_at_hotmail.com)
Date: Wed Jan 26 2005 - 04:18:17 CST

Dear ANTECHAMBER users:
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.

Thanks,
Vineet

"The future belongs to those who believe in the beauty of their dreams"
-Eleanor Roosevelt

_________________________________________________________________
FREE pop-up blocking with the new MSN Toolbar - get it now!
http://toolbar.msn.click-url.com/go/onm00200415ave/direct/01/

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu