AMBER Archive (2009)

Subject: [AMBER] How to know that the md is stable in equilibration run

From: nicholus bhattacharjee (nicholusbhattacharjee_at_gmail.com)
Date: Mon May 25 2009 - 06:54:25 CDT

Dear all,
             I am running number of md simulations. For each simulation I am
running a 100 ps equilibration run before 1 ns production run. What is the
criteria to know that my equilibration is well by seeing through the rmsd
graph equilibration graph. Is there any optimum value? Please do answer.
Thank you in advance. 

-- 
Nicholus Bhattacharjee
PhD Scholar
Department of Chemistry
University of Delhi
Delhi-110007 (INDIA)
Phone: 9873098743(M)
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