units           real
neigh_modify    delay 0 every 1 check yes
atom_style      full
bond_style      harmonic
angle_style     harmonic
pair_style      lj/cut/coul/cut 10.0
pair_modify     mix arithmetic
kspace_style    none
special_bonds   amber


atom_modify	sort 0 0

read_data       data.single_water

timestep        1.



dump            1 all xyz 1 dump.xyz

thermo_style    multi
thermo          1
thermo_modify   flush yes



fix             1 all qmmm