units real

molecule water tip3p.mol
atom_style     full

variable        radius equal 100.0
region          box block $(-v_radius) $(v_radius) $(-v_radius) $(v_radius) $(-v_radius) $(v_radius)
create_box 2 box bond/types 1 angle/types 1 &
            extra/bond/per/atom 2 extra/angle/per/atom 1 extra/special/per/atom 2

mass 1 15.9994
mass 2 1.008

bond_style zero
bond_coeff 1 0.9574
angle_style zero
angle_coeff 1 104.52

region block1 block -80 80 -80 80 -80 80
region block2 block -70 70 -70 70 -70 70
create_atoms 0 random 5000 12345 block2 mol water 12345 overlap 2

thermo 1
thermo_style custom step time spcpu temp press etotal pe

fix wall all wall/region block1 harmonic 1000.0 0.0 2.5
fix_modify wall energy yes

pair_style lj/cut/coul/cut 8.0
pair_coeff 1 1 0.1521 3.1507
pair_coeff 2 2 0.0    1.0
velocity all create 300.0 12345
fix 1 all nvt temp 300 300 100.0
fix 2 all shake 0.001 10 10000 b 1 a 1

dump 2 all movie 10 wall.block.mpg type type size 1500 1500 fsaa yes
dump_modify 2 pad 4 acolor * white/red/green/blue/aqua/magenta

run             100