I need to define buckingham interaction between the oxygen in TIP4P and an atom type 3.
kspace_style pppm/tip4p 1e-5
pair_style hybrid buck/coul/long 8.5 lj/cut/tip4p/long 1 2 1 1 01546 8.5
pair_coeff 1 3 buck/coul/long 2.78e4 0.297 #TIP4P oxygen and type 3
pair_coeff 1 1 lj/cut/tip4p/long 0.18521 3.1589 #TIP4P oxygen - TIP4P oxygen
My question is: does specifying buck/coul/long take care of the shifted charge center for oxygen completely (both short and long range)?
But if that's the case, then using lj/cut/coul/long instead of lj/cut/tip4p/long for 1-1 interaction should make no difference.
From this post: http://lammps.sandia.gov/threads/msg23956.html
it seems like it's okey to do this.
Thank you in advance