[gmx-users] cell exploding

[David van der Spoel]

On Mon, 2003-03-10 at 11:50, Yuguang Mu wrote:
> I even try tau_p = 10 ps
> It still explods
check density and energy as a function of time (even energy components).
Do you have net charge on the system?

More details please!
> 
> 
> > 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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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
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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