Hi Prof. François.
Thanks for the link, but I guess I didn't made myself clear. While I can
understand what are the "chipot" and "ssvpot" from the RRMS field, I don't
quite understand the meaning fo the "std err of estimate" field.
Thanks a lot in advance,
Sincerally yours,
Jones
On 10/10/07, FyD <fyd.q4md-forcefieldtools.org> wrote:
>
> 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
>
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Oct 14 2007 - 06:07:10 PDT
