[gmx-users] Increase temperature to 550K
chihying2008 at gmail.com
Wed Nov 11 00:38:09 CET 2009
the water model is TIP3P.
I think the problem is hidden in your water force field model.
> The simulation system is merely water + one lysozyme.
> I increase temperate to 550K.
> Then, the simulation broke.
> The following message is shown.
> MX:hpc0011:Remote endpoint is closed, peer=00:60:dd:48:14:5b (hpc0010:0)
> mpiexec: Warning: task 0 exited with status 1.
> mpiexec: Warning: tasks 1-2 died with signal 9 (Killed).
> mpiexec: Warning: task 3 died with signal 11 (Segmentation fault).
> Anything wrong with the simulation?
> Thank you
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