units real atom_style full bond_style harmonic angle_style harmonic boundary p p p pair_style lj/cut/coul/cut 12.0 pair_modify mix arithmetic variable fname index system13.data.txt variable simname index system.data log logvdwl.${simname}.txt_13 read_data ${fname} pair_coeff 1 1 0.066 3.5000000 pair_coeff 2 2 0.030 2.5000000 bond_coeff 1 0 1.0870 angle_coeff 1 0 109.471 thermo_style custom evdwl thermo 1000 timestep 1 print "start" run 0 print "finish"