# TIP3P/Ew and NaCl Potential Parameters
pair_style 	hybrid lj/cut/coul/long 5.0 buck/coul/long 5.0 # This cutoff is too short for a real calculation

# Load configuration
read_restart	restart

# create groups
group hy type 1
group ox type 2
group na type 3
group cl type 4

# set charges
set group ox charge -0.830
set group hy charge 0.415
set group na charge 1.0
set group cl charge -1.0

# Water TIP3P
pair_coeff      1 1 lj/cut/coul/long 0.0 0.0
pair_coeff      2 2 lj/cut/coul/long 0.102 3.188
pair_coeff      1 2 lj/cut/coul/long 0.0 0.0
# Mixed from Pettitt 86
pair_coeff      2 3 lj/cut/coul/long 0.1338549 2.72
pair_coeff      1 3 lj/cut/coul/long 0.1338549 1.31
pair_coeff      2 4 lj/cut/coul/long 0.359825 3.55
pair_coeff      1 4 lj/cut/coul/long 0.359825 2.14
# NaCl from Pettitt 86
pair_coeff	3 4 buck/coul/long 28929.93 0.317 161.2016
pair_coeff	3 3 buck/coul/long 9772.847 0.317 24.18024 # This is not used
pair_coeff	4 4 buck/coul/long 80312.94 0.317 1683.981 # This is not used
bond_style      harmonic
bond_coeff      1 450 0.9572
angle_style     harmonic
angle_coeff     1 55 104.52
kspace_style    pppm 1e-2 # The accuracy is too low for a real calculation
