[gmx-users] problem with total energy
devicerandom at gmail.com
Wed Apr 7 22:47:32 CEST 2010
jampani srinivas ha scritto:
> 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?
Which part of the system is increasing its energy?
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