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
distributed.
How can make the temperature uniformly distributed within the system.
Thanks
NdS
PS: I ran the same simulation iin NAMD, and after NVT the temperature
was uniformly distributed.