Re: AMBER: reproduction of RESP charges for Gly

From: Bill Ross <>
Date: Tue, 4 May 2004 13:35:49 -0700 (PDT)

> > 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.

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Received on Tue May 04 2004 - 21:53:02 PDT
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