units lj newton off atom_style sphere boundary p p p comm_modify mode single vel yes region boxid block 0.0 10.0 0.0 10.0 0.0 10.0 create_box 1 boxid create_atoms 1 random 200 9879 boxid velocity all create 1.0 87287 dist gaussian variable DIA equal 1.0 variable MASS equal 1.0 set type 1 diameter ${DIA} set type 1 mass ${MASS} pair_style hybrid/overlay lubricate 1.0 1 1 1.005 1.500 1 1 brownian 1.0 1 1 1.005 1.500 1.0 19876 1 1 lj/cut 1.0 fix 1 all nve/sphere pair_coeff 1 1 lubricate 1.005 1.5 pair_coeff 1 1 brownian 1.005 1.5 pair_coeff 1 1 lj/cut 1.0 0.89089871814 1.0 pair_modify shift yes minimize 1.0e-4 1.0e-6 1000 1000 thermo_style custom step temp ke pe etotal thermo 1000 timestep 0.001 #dump id all custom 10 out.lammpstrj id type radius mass xu yu zu vx vy vz fx fy fz run 100000