# in.cu15morse

units		metal
boundary		f f s
atom_style		atomic
pair_style		morse 3.4

read_data	cu16.txt

pair_coeff		* * 0.3429 1.35588 2.626
pair_coeff		1 2 *4 0.1 1.7 2.2
neighbor		2.0 bin
neigh_modify	delay5
neigh_modify	exclude type 1 1
group		tool type 1
group		newtonian type 2
group		thermostat type 3
group		boundary type 4
group		mobile subtract all boundary tool
fix		1 tool rigid single
compute		new mobile temp
velocity		mobile create 293 5812 775 temp new
velocity		tool set -5 0 0 sum yes units box
fix		2 mobile nve
fix		3 boungdary setforce 0.0 0.0 0.0
fix		4 tool setforce 0.0 0.0 0.0
velocity		thermostat scale 293.0
fix		5 all enforce2d

thermo		500
thermo_style	custom step temp epair pe ke etotal vol press
thermo_modify	temp new
thermo_modify	lost warn
compute_modify	new extra 4
dump		1 all atom 500 dump.testcu15morse
dump_modify	1 scale no
dump		2 all custom 500 dump.forcecu15morse tag vx vy vz fx fy fz

timestep		0.002
run		10000