AMBER Archive (2009)
Subject: [AMBER] Simulated annealing
From: waleed zalloum (waleed_zalloum_at_yahoo.com)
Date: Fri Apr 24 2009 - 09:31:36 CDT
Dear Amber users,
I am running simulated annealing, In my input file I heat the system up to 1000K and then cool it slowly. It was running well, but today I used the same input file and the temperature keeps going up to many thousands of K (~ 10000K).
Anyone faced such a problem?
Thank you in advance
AMBER mailing list