[gmx-users] problem with total energy

jampani srinivas jampanis at gmail.com
Sat Apr 3 20:53:14 CEST 2010

Dear Berk,

I am sorry if i am confusing you with my poor description of problem,
actually I have submitted simulation with two temperature coupling groups (i
think you already know that from our earlier conversations) and found that
there is a continuous increase in the total energy of the system. I could
not observe any blowing in the output file but the system energy is
continuously increasing, i am using 4fs time step here. Can you please let
me know if i have to give more details?

Thanks in advance

J. Srinivasa Rao
Post-doctoral Research Associate
C/o Prof. Luis R Cruz Cruz
Computational Biophysics Group
Department of Physics
Drexel University
3141 Chestnut St
Philadelphia, PA 19104, USA.
Ph:  Off:     215-895-1989
       Mob:  704-706-4191
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