units lj
atom_style ellipsoid
boundary p p p
read_data Data_region
#------------------------------------#
region the_wall block 20. 40. 20. 40. 20. 40. side out
#------------------------------------#
pair_style resquared 1
pair_coeff 1 1 10.0 1.0 0.5 0.5 4 0.5 0.5 4 1
#------------------------------------#
timestep 0.0005
#------------------------------------#

fix EES_block all wall/region/ees the_wall 10. 1. 20
#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^#

thermo_style custom step temp press etotal f_EES_block[1] f_EES_block[3]

fix NVE all nve/asphere
#------------------------------------#
compute qw all  property/atom quatw
compute qi all  property/atom quati
compute qj all  property/atom quatj
compute qk all  property/atom quatk
#------------------------------------#
thermo 500
#dump 1 all custom 1000 dump_region id type x y z c_qw c_qi c_qj c_qk 
run 50000