units lj atom_style dpd pair_style dpd 1.0 1.0 34387 # create simulation box lattice fcc 3 region mybox block -4 4 -4 4 -4 4 units lattice create_box 1 mybox create_atoms 1 # define masses and interactino coefficient mass * 1 pair_coeff 1 1 25 4.5 # create initial velocities velocity all create 1.0 4928459 dist gaussian # change neighbor list parameters to avoid dangerous builds neighbor 2.0 bin neigh_modify delay 3 # specify simulation parameters timestep 0.04 thermo 10 fix 1 all nve run 500 run 500