correct- at NTP, water will boil at 550K. you need to increase P or use NVT.
On Wed, Nov 11, 2009 at 10:27 AM, Chih-Ying Lin <chihying.usc.edu> wrote:
>
>
> Hi
> The system = one lysozyme + TIP3P water
> I was put the system in NTP simulation.
>
>
> 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?
>
> Or, under 550K, all water molecules should evaporate entirely ???
>
>
> Thank you
> Lin
>
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Received on Wed Nov 11 2009 - 10:00:02 PST
