[gmx-users] How could I know whether I should use epsilon-sigma or c6-c12?

[Bao Kai]

Hi, all,

I am still trying to do my simulation with liquid mixtures.

I have a simple question now. When I writing my .top file, how could I
know if I should use epsilon-sigma or c6-c12 parameters for the LJ
potential? It seems that in some examples, c6-c12 parameters are used
and epsilon-sigma parameters are used in some other examples.

Thank you very much.

Best Regards,
Kai