diff --git a/examples/USER/misc/grem/lj-single/in.gREM b/examples/USER/misc/grem/lj-single/in.gREM index 1da1fabe4..1fc02d5f9 100644 --- a/examples/USER/misc/grem/lj-single/in.gREM +++ b/examples/USER/misc/grem/lj-single/in.gREM @@ -1,22 +1,21 @@ # 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 fxnvt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0 fix fxgREM all grem 400 -.01 -30000 fxnvt thermo_modify press fxgREM_press -fix_modify fxnvt press fxgREM_press run 1000 #write_data lj-out.data