Pressure Fluctuation

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1

Hi users

I’m running a simple model of about 3000 water molecules in NPT ensemble.

Please see attached files.

However, I found large erratic fluctuations in pressure, -400 to 400 atm. What’s the reason?

Thanks in advance.

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2

Hi users

I'm running a simple model of about 3000 water molecules in NPT ensemble.

Please see attached files.

However, I found large erratic fluctuations in pressure, -400 to 400 atm.
What's the reason?

​please check out the information at this link:
http://lmgtfy.com/?q=lammps+npt+pressure+fluctuations

axel.​