dimension 2 units lj atom_style atomic boundary p p p #designing the model lattice sq2 0.60 region box block 0 50 0 50 -0.25 0.25 create_box 2 box create_atoms 1 box mass * 1000.0 region 2 block 10 40 25.0 25.1 INF INF group center region 2 group liquid subtract all center set group center type 2 set group liquid type 1 velocity all create 300.0 87287 pair_style lj/cut 2.5 pair_coeff * * 4200.0 1.0 2.5 neighbor 0.3 bin neigh_modify every 10 delay 0 check no #neigh_modify exclude group center center check no thermo 100 fix 1 center temp/rescale 100 300.0 300.0 0.02 0.5 fix 2 liquid temp/rescale 100 1650.0 1650.0 0.02 0.5 fix 3 liquid nve run 5000 unfix 2 unfix 3 timestep 0.01 dump id all atom 200 dump.dat fix 3 liquid temp/rescale 100 1500.0 1500.0 0.02 0.5 fix 4 liquid nve run 30000