# LJ particles variable T0 equal 300.0 variable press equal 0.0 units real atom_style full pair_style lj/cut 5.0 read_data "lj.data" thermo 10 thermo_style custom step temp pe etotal press vol timestep 1.0 fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0 fix fxgREM all grem 400 -.01 -30000 fxnpt thermo_modify press fxgREM_press run 1000 #write_data lj-out.data