in.gREM-npt
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			# 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

lammps/examples/USER/misc/grem/lj-single/in.gREM-npt2a026c9ad8ealammm-devel