[gmx-users] Potential energy increases

[David]

On Wed, 2005-06-08 at 10:37 +0100, Binbin Liu wrote:
> Dear all,
> 
> After energy minimisation, I applied equilibrium simulation to the system. 
> There is one thing seems odd to me. The potential energy of the whole system 
> increased at the start several steps of simulation and then reached stable. 
> 
> My questions is if this is correct or not. What does cause this phenomena?
I just answered this.
> 
> 
> Binbin
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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