[gmx-users] cell exploding

[David van der Spoel]

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.

> 
> Dr. Yuguang Mu
> Institute for Physical and Theoretical Chemistry
> J.W. Goethe University Frankfurt am Main
> Marie Curie Str. 11
> 60439 Frankfurt/Main, Germany
> Tel: +49-(0)69-798-29711
> 
> 
> _______________________________________________
> gmx-users mailing list
> gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> 
-- 
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++