read_restart Restart.file


pair_style lj/cut/coul/long 13
pair_modify tail yes 
kspace_style pppm 1.0e-5 

neighbor 2.0 bin 
neigh_modify delay 10 check yes 

compute HMOL all chunk/atom molecule 
compute MSD all msd/chunk HMOL 

fix TEMP all nvt temp 300 300 8

fix 11 all ave/time 1 1 1 c_MSD[*] file MSD.out mode vector 
fix 22 all ave/chunk 1 1 1 HMOL vz file tmp.vz

thermo 50
thermo_style custom step temp pe ke etotal density


reset_timestep 0
timestep 2
run 50