[gmx-users] cell exploding

Yuguang Mu ygmu at theochem.uni-frankfurt.de
Mon Mar 10 12:23:10 CET 2003


> On Mon, 2003-03-10 at 12:07, Yuguang Mu wrote:
> > I have checked  energy as a function of time,
> > they seems OK.
> > The density decreases greatly as the box explods
> >
> > The pressure has strange behavior, after initio drops, it stay on a
> > platform, around 1000 bar, and fluctuats there.
>
> Is your RNA intact?

In my case, the RNA is intact, because I just want to equilibrate the
water shell, and I freeze the RNA, only the water and ions can move.





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