#box setup
units		lj
boundary        p p p
atom_style      charge
lattice         sc 1
region          box block 0 10 0 10 0 10
create_box      1 box

#create atoms
create_atoms	1 single 0.5 0.5 1.1
set		type 1 charge 0
mass		* 1.0
pair_style	lj/cut 1.12246205
pair_coeff        *     *    1.0 1.0     1.12246205
pair_modify     shift yes

#create wall/region
region		block1 block  0 1 0 1 0 1 units box
region		block2 block  0 1 0 1 0 1 units box
region		blockade union 2 block1 block2 side out
fix		ljblock all wall/region blockade lj126 1.0 0.66     0.74082495188
fix_modify	ljblock energy yes

#run setup
fix             energy1   all   nve
timestep	0.005
run             1