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
 
Waleed   
 

      
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