AMBER Archive (2004)

Subject: Re: AMBER: reproduction of RESP charges for Gly

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue May 04 2004 - 15:35:49 CDT


> > They used two Gly conformations for RESP
> > charge-fitting in reference. What does this mean?
>
> Best to read the papers involved.

 ... my understanding of which is that charges were fitted
on ESP's derived from 2 representative conformations to
make them more general.

Bill
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