AMBER Archive (2009)

Subject: Re: [AMBER] Meaning of GMAX

From: Ashish Runthala (ashish.runthala_at_gmail.com)
Date: Mon Aug 24 2009 - 09:59:53 CDT

I need to ask a very basic doubt here, if you don't mind. Correct me if i am
wrong about it.
We always try to remove the higher values of GMAX and we also wish to keep a
lower value of RMS for better results.
But i saw only a single highest value of GMAX. Many a times, i saw other
incidences where other values have also resulted at GMAX less than the
earlier ones. So why dont all such values as compared to the mean and
standard deviation of the other normal or lower values can be considered
with their positions being displayed in the output file. I guess it will
help in overall refinement, instead considering a single value.

Ashish
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