[gmx-users] Strange silent crush of pr run
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
> "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
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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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