Quoting Jones de Andrade <johannesrs.gmail.com>:
> 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
http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php
In each table of charge values, you get RRMS values and a short
discussion about the corresponding values. See table 7 and 11 for
instance.
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
