# ----------------- Init Section -----------------

include "H_atom.in.init"


# ----------------- Atom Definition Section -----------------

read_data "data.new_slab"

# ----------------- Settings Section -----------------

include "H_atom.in.settings"


# ----------------- Run Section -----------------

neighbor                2.0 bin
neigh_modify    delay 0 every 1 check yes page 1000000

timestep               1.0

thermo                  0

reset_timestep  0

velocity hyd set 0.0 0.0 -1.0e-02 sum yes mom yes


fix                     1 water nvt temp 10 10.0 5.0
fix                     2 water shake 0.00001 200 0 b 1 a 1



thermo_style    custom step temp epair etotal press vol lx ly lz
thermo                  100
thermo_modify   flush yes



dump                    1 all custom 100 water_slab.lammpstrj id mol type x y z ix iy iz
#dump 			2 hyd xyz 100 h.xyz
dump 			3 hyd custom 100 h.txt z vz

run                     5000