[AMBER] Rebuilt missing amino acid gap is critical for long-time MD simulation by Amber

From: jacky zhao <jackyzhao010.gmail.com>
Date: Tue, 5 Sep 2017 13:00:53 +0800

Hi everyone
     Recently, I have performed protein-protein complex long-time MD
simulation with more than 1µs by Amber. I am wondering that rebuilt the
missing amino acid gap is essential for long-time MD simulation, even
though these missing amino acids were not located at the binding interface?


Thank you for taking your time.

-- 
Lei Zhao, Ph.D.
International Joint Cancer Institute of the Second Military Medical
University
National Engineering Research Center for Antibody Medicine
New Library Building 11th floor,800 Xiang Yin Road
Shanghai 200433
P.R.China
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Mon Sep 04 2017 - 22:30:02 PDT