# 3d Lennard-Jones melt units lj atom_style atomic variable index loop 10000 variable number file tmp.ids label loop lattice fcc 0.8442 region box block 0 10 0 10 0 10 create_box 1 box create_atoms 1 box mass 1 1.0 velocity all create 1.44 87287 loop geom pair_style lj/cut 2.5 pair_coeff 1 1 1.0 1.0 2.5 neighbor 0.3 bin neigh_modify delay 0 every 20 check no fix 1 all nve group delatom id ${number} delete_atoms group delatom run 0 print "Done with iteration ${index}, atom ${number}" clear next index next number jump in.loop loop