parm.lammps

# Mass
mass 1 22.99
mass 2 35.45
mass 3 15.999
mass 4 1.00784
mass 5 12.011
mass 6 1.00784
mass 7 1.00784
mass 8 12.011
mass 9 15.999
mass 10 1.00784

# Pair coefficients
pair_coeff 1 1 0.1075 2.31 # Na - Na
pair_coeff 2 2 0.1004 4.3 # Cl - Cl
pair_coeff 3 3 0.1848 3.165 # OW - OW
pair_coeff 4 4 0.0 0.0 # HW - HW
pair_coeff 5 5 0.066 3.5 # Ch - Ch
pair_coeff 6 6 0.03 2.5 # Hcc - Hcc
pair_coeff 7 7 0.0 0.0 # Ho - Ho
pair_coeff 8 8 0.066 3.5 # Co - Co
pair_coeff 9 9 0.17 3.12 # Oh - Oh
pair_coeff 10 10 0.03 2.5 # Hco - Hco

# Bond coefficients
bond_coeff 1 0.0 0.9572
bond_coeff 2 268 1.529
bond_coeff 3 340 1.09
bond_coeff 4 320 1.41
bond_coeff 5 553 0.945

# Angle coefficients
angle_coeff 1 0 104.52
angle_coeff 2 33 107.8
angle_coeff 3 37.5 110.7
angle_coeff 4 50 109.5
angle_coeff 5 35 109.5
angle_coeff 6 55 108.6

# Dihedral coefficients
dihedral_coeff 1 -0.356 -0.174 0.492 0.0
dihedral_coeff 2 0.0 0.0 0.468 0.0
dihedral_coeff 3 0.0 0.0 0.450 0.0
dihedral_coeff 4 0.0 0.0 0.318 0.0