I had a basic question on a fundamental MD concept with use of LAMMPS. This is in relation to the Couette Flow example in LAMMPS.
From MD, as I understand, we must perform rescaling during the period of equilibration after which, the rescaling is removed. But in the example, the rescaling is performed even when the upper plate is provided a velocity, and the resulting flow physics is analyzed.
Should I unfix the rescaling after a period of equilibration and then assign velocity to the plate, or is the example provided the correct process to implement the flow. Please explain .
Thank you. Ganesh
If you are dragging a wall across the fluid you will heat
it up, so you need some kind of thermostatting (rescaling)
to keep the fluid from heating up.