Hello Georg and Rudolf,
Thanks for the respective replies.
I am really just ramping up the learning curve and am easily tripped up.
For example in Python:
system.non_bonded_inter[0,0].lennard_jones.set_params(epsilon=1,sigma=1,cutoff=1.5,shift=" auto ")
generated an error message (which was a rote copied example) whereas
Many examples of TCL simulations include: set skin
but with Python: system.skin=0.4 yields "AttributeError: System does not have the attribute skin."
For myself I am looking to simulate polymers containing phenylene rings (and related system) using the Gay-Berne potential (to coarse grain rigid ring subunits). With the Gay-Berne potential I presume I will need an anisotropic rotational inertia as well. I am really a novice in these matters.