units           real
neigh_modify    delay 0 every 1 check yes
atom_style      full
bond_style      harmonic
angle_style     harmonic
pair_style      lj/cut/coul/long 10.0
pair_modify     mix arithmetic
kspace_style    pppm 1e-4
special_bonds   amber                               

#atom_modify	sort 0.0 0

read_data       data.single_water

timestep        1.0

thermo_style    multi
thermo          1

fix             1 all qmmm