AMBER Archive (2009)

Subject: Re: [AMBER] Simulated annealing

From: waleed zalloum (waleed_zalloum_at_yahoo.com)
Date: Fri Apr 24 2009 - 10:04:47 CDT

I am using the FF99bsc0 force field because I have a conjugate of oligopeptide and oligonucleotide.
 
Yes it goes up in continuation run and the energies are  Etot   = -1956.9228 at time =0.00, Temp= 0.00K and  Etot   =  15446.2876 at time 27.2 ps, temp = 7376.56K.
 I am using 2fs time step.
 
Thank you for help.

      
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