# 3d Lennard-Jones melt - MDI driver script

units		lj
atom_style	atomic

read_data       data.snapshot

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 1 check yes

fix		1 all nve

compute         1 all pressure NULL virial

thermo_style    custom step temp pe c_1 c_1[1] c_1[2] c_1[3]

thermo          100

dump            1 all custom 100 dump.snapshot.alone &
                id type x y z fx fy fz
dump_modify     1 sort id

run             300