AMBER Archive (2006)

Subject: AMBER: Correlation matrix used in quasih (Amber 7)

From: Craig Gough (cgough_at_jbirc.aist.go.jp)
Date: Thu May 18 2006 - 02:06:03 CDT

Dear Amber users,

I would like to access directly the elements of the fluctuation
covariance matrix used in quasih (AMBER 7), to examine correlated
motions in a protein (without reference to any particular mode). Would
someone tell me the appropriate variables and portions of the quasih.f
code (or related modeles) to use? I could be brave and attempt to do
this myself, but to avoid interpreting the code incorrectly, I would
prefer to ask first.

Thanks,
Craig

******************************************
Craig Gough
Integrated Database Team
Japan Biological Information Research Center (JBIRC)
AIST Waterfront Bio-IT Research Building, 7th Floor
Aomi 2-42, Koto-ku, Tokyo
135-0064
Tel: 03-3599-8810
******************************************
 

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