OPLS nonbonded

Dear Experts

Im hoping to simulate a system which uses REBO and OPLS type non-bonded interactions

I read that you can use pair_style_hybrid for this

but for opls type lj interactions there is no key word. please give any inputs for this. what I did was

pair_style_hybrid airebo 2.0 0 0 lj/cut/coul/cut 12.0
special_bonds lj/coul 0.0 0.0 0.5

and define the coefficients, is this correct


Milinda Samaraweera

University of Connecticut
Department of Chemistry
55 N Eagleville road
unit 3060
Storrs CT

yes, I believe the LJ + Coul formula can give you OPLS
so long as you choose coeffs correctly.