[lammps-users] Non-uniform Temperature with NVT

Hi all

I am running a NVT simulation, with a carbon nanotube surrounded by
Hexene molecules. I first minimized the system, run NVE and then NVT.
At the end of NVT the nanotube temp was much lower than the Hexene
molecules temperature. I expected the temperature to be uniformly

How can make the temperature uniformly distributed within the system.


PS: I ran the same simulation iin NAMD, and after NVT the temperature
was uniformly distributed.

You can thermostat the 2 sets of atoms independently with
2 thermostats. You can use a Langevin thermostat.