Temperature control


I am modeling molten NaCl under 1078K.

I control the temperature by commands of “fix npt” and then “fix nvt” with both one million steps. But the temperature cannot research the desired temperature, 1078K, rather than fluctuates dramatically, as shown in the attachment.

I want to know whether the data collected in that case are reliable or not.

And how to control the temperature to be the desired temperature within ignorable error.

I would highly appreciate if any advise!
Thanks & Best Regards!
Jia Wang
East China University of Science and Technology
Shanghai, China
Tel: 18616024679

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