AMBER Archive (2007)

Subject: Re: AMBER: Antechamber formal charges with Gasteiger method

From: David A. Case (case_at_scripps.edu)
Date: Fri Aug 03 2007 - 15:17:11 CDT

On Thu, Aug 02, 2007, Scott Brozell wrote:
>
> antechamber still ignores the net charge for the Gasteiger charge method.

Is there any real reason why we support Gasteiger charges in the first place?

...dac

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