AMBER Archive (2004)

Subject: Re: AMBER: mmpbsa qustion

From: Holger Gohlke (gohlke_at_bioinformatik.uni-frankfurt.de)
Date: Thu Feb 26 2004 - 01:29:06 CST


hj zou schrieb:
>
> dear amber users
> when I perform mm_pbsa calculation,follow message is output on the screen:
> No skew or curtosis when zero variance in moment
>
> No skew or curtosis when zero variance in moment
>
> No skew or curtosis when zero variance in moment
>
> No skew or curtosis when zero variance in moment

This is (just) a note from the statistics routine mm_pbsa uses. However,
you should check why there is zero variance for some of the energy
contributions. For this, have a look at the xxx_{com,rec,lig}.all.out
files.

Best regards

Holger

> Should I be concerned with it?
> thanks.
>
>
>          2004-02-26
>
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-- 
++++++++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke

J.W. Goethe-Universitt Fachbereich Biologie und Informatik Institut fr Mikrobiologie Marie-Curie-Str. 9 60439 Frankfurt/Main Germany

Tel.: (+49) 69-798-29503; Fax: (+49) 69-798-29826 Email: gohlke_at_bioinformatik.uni-frankfurt.de URL: http://www.rz.uni-frankfurt.de/~hgohlke ++++++++++++++++++++++++++++++++++++++++++++++++++ ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu