Hi all,
I am doing the simulation consists of graphene bilayer and water, I want to use Airebo and KC potentials for intralayer and interlayer of graphene respectively, and mW (coarse-grained) model for water, so, here is the potential part of my input file, then, I just have equilibrated the structure, but it failed without error information shown. (I have also tried the same simulations using other potentials, like SPC/E for water, it works well, so the failure must be caused by mixing of the three potentials). By the way, LAMPS 16Mar18 is what I am using.
###INPUT######
C is 1,water (mW) is 2########
pair_style hybrid/overlay airebo 2.0 kolmogorov/crespi/full 16.0 lj/cut 12.0 sw
pair_coeff * * sw mW.sw NULL mW
pair_coeff 1 1 none
pair_coeff * * airebo CH.airebo C NULL
pair_coeff * * kolmogorov/crespi/full CC.KC-full C NULL
pair_coeff 1 2 lj/cut 0.0041 3.19
Could anyone help me?
Thanks,
Shizhe