Region instead of group

Dear Dr axel

Thanks for your attention.
Yes, the thermal conductivity of our nanotube (MoS2) according our result in
this article https://aip.scitation.org/doi/10.1063/1.5001383 is very much
lower than carbon nanotubes.
I thought my details are annoyed you, as you said "my description is too
vague to give specific advice"

while your initial post was too vague, this input is too complex to
debug it and give advice on it.
could you try to build a much simpler system (less atoms, shorter
trajectory, less regions/groups), so it is easier to study faster what
is going on (even if it would not be physically very meaningful)?

also can you give a description with more details of what you want to
achieve and what you want to learn from the simulation.
please also clarify, if it is your intention to simulate a rigid or a
flexible water potential.

axel.