problem with using nve and temp/rescale

please always reply to the mailing list, not individual people. thanks.

Thanks Axel for your response. When I fixed the temperature of the whole
system, the atoms of the substrate didn't remain intact and the substrate
structure fell apart. What can I do about this issue?

this is a non-issue. in both cases, you get the system that you asked
LAMMPS to simulate. the problem is that you have incorrect
expectations about what you should see. PEBCAC!

Regarding the temp/rescale, I saw that in the couette flow example of
LAMMPS, the combination of NVE and temp/rescale was used for the simulation.

yes, but those are *examples*. designed to quickly show how certain
scenarios can be set up in principle.
temp/rescale has many drawbacks and very few benefits.