[lammps-users] NPT equilibration

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1

Hi,

I was trying to do a NPT equilibration with 300 K and 0 bar but failed to make it work. The temperature is stabilizing at around 180 K and pressure never goes to 0. Any help will be highly appreciated.

Thanks

Tawhid

temperature controller#########

compute new3d all temp

2

What units are you using? What does it do when
you run NVE?

Steve