[gmx-users] cell exploding

Yuguang Mu ygmu at theochem.uni-frankfurt.de
Mon Mar 10 11:50:53 CET 2003


I even try tau_p = 10 ps
It still explods


> On Mon, 2003-03-10 at 10:32, Yuguang Mu wrote:
> > Hi Gmx-users,
> > My simulation system is RNA + water + Na+
> > If I did it without pressure coupling, the simulation is quite OK.
> > But when I switch on the pressure coupling,
> > the box begins exploding then crash after around 100 ps.
> >
> > Do you know some reasons ?
> maybe too tight p coupling. Set tau_p to 1 ps.
>




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