[AMBER] comparing order parameters from MD and NMR

From: Brendan Duggan <bmduggan.musc.gmail.com>
Date: Wed, 13 Apr 2011 10:11:44 -0400

I would like to compare order parameters from my simulations to those
derived from NMR relaxation measurements. There has been some discussion of
this on the mailing list in the recent past and I was wondering if an
example has been posted as mentioned here (
http://archive.ambermd.org/201005/0060.html), or if the method described
here (http://archive.ambermd.org/201005/0071.html) is still the best way to
go about it?

Thanks for any advice!

Brendan


-- 
Brendan M. Duggan, PhD
Research Assistant Professor
NMR Facility Manager
Medical University of South Carolina
Department of Biochemistry and Molecular Biology
173 Ashley Avenue
Charleston SC 29425
bmduggan.musc.edu
(843) 792-5029
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Received on Wed Apr 13 2011 - 07:30:04 PDT
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