units		real
dimension	3	
atom_style	full
boundary	p p f
neigh_modify	delay 5 every 1 one 10000 page 100000
pair_style      lj/cut/coul/long 12.0 
kspace_style    pppm 1e-04
kspace_modify 	slab 3.0

angle_style 	harmonic
bond_style 	harmonic
dihedral_style 	harmonic
special_bonds   	amber

read_data	 data.ethanol+water-equilibration2-zero-img-flag extra/atom/types 1

mass 8 12.011	
pair_coeff      8 8 0.056 3.400   # carbon-like atom

#create wall
lattice fcc 3.2 origin 0.1 0.1 0.1 

region lwall block EDGE EDGE EDGE EDGE -52 -48 units box
region rwall block EDGE EDGE EDGE EDGE  48 50 units box

create_atoms 8 region lwall
create_atoms 8 region rwall 

group ethanol type 1 2 3 4 5
group water type 6 7
group wall type 8
group system union ethanol water

#fix		1 water shake 1e-6 25 0 t 6 7
fix		2 water nve
fix             3 wall setforce 0.0 0.0 0.0

thermo 10

minimize 0.001 0.001 1000 10000

reset_timestep 0
timestep	0.5
thermo 500

write_data data-ethanol+water+walls-2-layer-pre-equil