Carbon-Carbon Long range inteaction using Lj potential

Dear Steve,

I am sorry but I really did not get it. What I am trying to say is that is there a way to turn off LJ potential if r< 2 angstrom? I just need the LJ potential to work for long range interaction.


There is no option with lj/cut to “turn-off” interactions below a cutoff.

You can tabulate your own pairwise potential that does whatever

you wish for r < 2, and use it with pair table, and make it part

of pair hybrid/overlay.