Subject: G92,rms rrms units in PD charges

From: <[email-masked]>
Date: Thu, 31 Oct 1996 15:41:00 +0100

hello,

I'm fitting atomic charges with potential derived method
(MK,CHELP,CHELPG) with gaussain92.
The quality of the fit is given by the rms and the rrms.
I want to know in what units are given the rms and the rrms.
I know that these units are KJ/mol for rms and % for rrms but
I need to confirm this.
More if I have a value of 0.15 for the rrms, does it mean
0.15% or 15% ??
If somebody could give me this information (about rms and rrms)
it would be very helpful.
Thanks a lot to everybody, answers will be sumarysed.
Francois.

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¤  François HUTSCHKA                 Ph.D. Student in Quantum Chemistry     ¤
¤                                                                           ¤
¤  Laboratoire de Chimie Quantique                                          ¤
¤  UPR 139 du CNRS                                                          ¤
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¤  FRANCE                            E-Mail: [email-masked]  ¤
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