Re: AMBER: Resp: "Statistics of the Fitting"

From: FyD <>
Date: Wed, 10 Oct 2007 06:53:05 +0200

Quoting Jones de Andrade <>:

> I have an straight doubt about resp output: What really or exactly is each
> term in the "Statistics of the Fitting" section?
> Not quite sure on "which is what". ;)

You have some information about those "Statistics of the Fitting" in
In each table of charge values, you get RRMS values and a short
discussion about the corresponding values. See table 7 and 11 for

The RRMS value is also found in the Gaussian output (for the ESP fit).

regards, Francois

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Received on Wed Oct 10 2007 - 06:07:58 PDT
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