boundary    	p  p  p
units           metal

atom_style      full
bond_style      harmonic
angle_style     harmonic

pair_style      lj/cut/coul/long 10.0

#*********************************************************

read_data       water.data

pair_coeff	1 1 0.0        0.0    10.0  
pair_coeff	2 2 0.0        0.0    10.0     

pair_coeff	1 2 0.00673433 3.166  10.0   #from spce.lt (0.04336*0.1553)

special_bonds   lj/coul 0.0 0.0 0.5


#*********************************************************

group           Water type 1 2

kspace_style    pppm 1e-4

dump            2 Water xyz 10 water2.xyz
dump            3 Water atom 10 water2.atom
dump            4 Water custom 10 water2.custom id mol type x y z fx fy fz

rerun           water1.custom dump x y z ix iy iz box no