Hi, I have carbon in water system with CHARMM force field( 1-carbon, 2-Hydrogen, 3-Oxygen), I want to switch off the interaction (through the CHARMM ff) between carbon-carbon in that system, and replace the carbon-carbon interaction by a repulsive Lennard-Jones interaction. I have attempted to do this using the pair_style hybrid command in the following way.
pair_style hybrid lj/charmm/coul/long 8 10 lj/cut 3.550053
pair_coeff 2 2 lj/charmm/coul/long 0.046 0.4000135 0.046 0.4000135
pair_coeff 3 3 lj/charmm/coul/long 0.1521 3.150574 0.1521 3.150574
pair_coeff 1 2 lj/charmm/coul/long 0.057 1.975 0.057 1.975
pair_coeff 1 3 lj/charmm/coul/long 0.1032 3.35 0.1032 3.35
pair_coeff 1 1 lj/cut 0.07 3.550053
Is this the correct approach?