[lammps-users] thermostat temp/rescale

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1

Dear All,

When I am using temp/rescale thermostat to maintain my wall temperature, I noticed that atoms of my wall don’t interact and they are just like being freezed. I think the reason might be that I didn’t assign any ensemble on it. So when we use the temp/rescale, if we want wall molecules interact with each other, do we have to use NVE?

ziyuan shi
PhD student
Department of Aerospace Engineering
Old Dominion University

2

If you don't specify an integrator, particles won't move. Fix temp/rescale is not an integrator, so you need to tell LAMMPS to use one (nve).

--AEI