[AMBER] SANDER NMR violations

From: Charles Johnson <cjohns98.slu.edu>
Date: Thu, 5 Jan 2012 15:40:21 -0600

I have been running simulations using SANDER and was noticing that sometimes the target value for the NMR restraints in the output file is r2 and sometimes r3. Could sometime please tell me why it is sometimes one and not the other value?

Thanks,
Charlie 

-- 
Charles A. Johnson
Graduate Student
Department of Chemistry
Saint Louis University
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Received on Thu Jan 05 2012 - 14:00:03 PST
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