AMBER Archive (2007)

Subject: Re: AMBER: High Standard Deviation for nmode (TSVIB) mm_pbsa

From: David A. Case (case_at_scripps.edu)
Date: Fri Feb 16 2007 - 19:22:05 CST

On Fri, Feb 16, 2007, Rima Chaudhuri wrote:

> # MEAN STD MEAN STD MEAN STD
> TSVIB 2753.67 2.69 2739.67 18.12 34.60 0.52

It is indeed odd that the standard deviation for the receptor is so much
larger than for the complex. You will probably have to study the individual
nmode outputs to try to figure out why -- is there one "oddball" outlier that
is greatly influencing the standard deviation? etc.

...good luck...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu