[gmx-users] Re: Increase temperature to 550K

[Vitaly V. Chaban]

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