[gmx-users] .xtc stopped

[David]

On Mon, 2002-09-16 at 17:38, ehab at biof.ufrj.br wrote:
> 
> Hi,
>  
> I'm running MD of proteins immersed in water with inhibitor during 
> 1000ps...most of them (10 simulations) were fine, but one of that stopped to 
> write the xtc archive at 834 ps.The trr and out shows that the simulation 
> finished at 1000ps..Anyone could help me to say what happened
Disk full? xtc size > 2 Gb? Running on sick hardware (e.g. memory
problems)? Is the energy also running until 10000 ps?

> Thanks in advance,
> 
> Elza Helena Andrade Barbosa
> Biophysics Institute Carlos Chagas Filho
> Federal University of Rio de Janeiro
> Brazil
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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