Please reply to the list, not to me.
If you want a thermal wall (which your script does not have b/c
it sets the velocity to a constant and the force to zero on the wall atoms),
then you can use the same wall you have, with atoms of type 1 (or whatever).
But add one thermal atom of type 2 to each type 1 atom, attached by
a spring. Have the mobile atoms interact with type 2 atoms, but not
type 1 atoms. Type 1 and type 2 atoms do not interact pairwise,
just thru the spring. Then the type 2 atoms will have a temperature.
Though you will still want to subtract off the type 1 atoms’s velocity
before coupling a temp.
Steve
