AMBER Archive (2007)

Subject: Re: AMBER: antechamber

From: David A. Case (case_at_scripps.edu)
Date: Sun Mar 18 2007 - 17:50:00 CST

On Sun, Mar 18, 2007, Ilyas Yildirim wrote:

> I have a question regarding antechamber. When we use the '-c bcc' charge
> option, is the conformation of the structure important in the charge
> calculation of antechamber?

Yes. Antechamber will minimize the structure (using AM1), but of course you
only find the minimum that is closest to the initial structure.

...dac

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