units lj atom_style full timestep 0.001 dimension 2 boundary p p p read_data system.data pair_style lj/cut 1.12246 pair_modify shift yes pair_coeff 1 1 1.0 1.0 1.12246 pair_coeff 1 2 1.0 1.0 1.12246 pair_coeff 2 2 1.0 1.0 1.12246 variable SET_TEMP equal 1.0 variable SET_ENERGY equal 1.0 ### DW-WCA FORCE ### include "dw-wca.in" ### END DW-WCA FORCE ### include "order.in" fix 1 all nve