[gmx-users] Strange silent crush of pr run

David spoel at xray.bmc.uu.se
Fri Jul 11 08:20:01 CEST 2003


On Fri, 2003-07-11 at 08:11, Semen Esilevsky wrote:
> Some time ago I've asked about the settle error during
> unrestrained run. Today I've even more strange crush.
> It was rather long (200 ps) position restraned run in
> order to solvate the inner pore of the ion channel.
> After ~100 ps mdrun silently terminated without any
> error message! The last line of the screen output
> reads:
> "step #### will finish ###### 2003.Quite."
> I wonder what caused that "Quite". No structuire files
> written in the case of crush, no messages, no info in
> the log - just nothing!
> Probably somebody had similar problem and know how to
> fix it? 
> Is it possible to continue the crushed run?
yes using tpbconv

> 
> Sincerely,
> Semen
> 
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell and Molecular 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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