units           real
atom_style      atomic
boundary        p p p
 
pair_style      lj/cut 16.0
pair_modify     mix geometric
 
read_data       init.data
thermo          1
timestep        1.0
group           move type 1
delete_atoms    group move

compute_modify  thermo_temp dynamic yes

fix             1 move gcmc 1 100 100 1 29494 298.0 -12.0 0.2
thermo_style    custom step atoms f_1[1] f_1[2] f_1[3] f_1[4] f_1[5] f_1[6] temp pe ke etotal press

dump            1 all atom 1000 gcmc.dump
dump            2 all xyz  1000 gcmc.xyz

run             1000