<br>Hi<br>the water model is TIP3P.<br><br>Thanks<br>Lin<br><br><br><br>I think the problem is hidden in your water force field model.<br>
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> The simulation system is merely water + one lysozyme.<br>
> I increase temperate to 550K.<br>
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> Then, the simulation broke.<br>
> The following message is shown.<br>
><br>
> MX:hpc0011:Remote endpoint is closed, peer=00:60:dd:48:14:5b (hpc0010:0)<br>
> mpiexec: Warning: task 0 exited with status 1.<br>
> mpiexec: Warning: tasks 1-2 died with signal 9 (Killed).<br>
> mpiexec: Warning: task 3 died with signal 11 (Segmentation fault).<br>
><br>
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> Anything wrong with the simulation?<br>
><br>
> Thank you<br>