processors 1 1 1 units lj dimension 2 atom_style bond special_bonds lj/coul 0 1 1 read_data 2D_Polymer.dat neighbor 0.4 bin neigh_modify every 1 delay 1 comm_modify vel yes bond_style fene bond_coeff * 30.0 1.5 1.0 1.0 pair_style soft 1.0 pair_coeff * * 2.5 velocity all create 1.0 17786140 dump 1 all custom 10000 *_Monomer_Coordinates id mol type x y z ix iy iz timestep 0.01 thermo 1000 thermo_style custom step temp pe etotal epair ebond density press pxx pyy pzz lx ly lz fix 1 all nve fix 2 all enforce2d run 100000 unfix 1 fix 3 all npt temp 1.0 1.0 2.0 iso 0.0 0.0 10.0 run 100000 write_data polymer_10x10.data write_restart my_restart_lj