units           real
atom_style      full

pair_style        lj/cut/coul/long 12 10 
pair_modify tail yes
kspace_style pppm 1.0e-4
pair_modify mix geometric
pair_coeff  1  1  0.170  3.25  #  1 NY
pair_coeff  2  2  0.250  3.55  #  2 SY
pair_coeff  3  3  0.210  2.96  #  3 OY
pair_coeff  4  4  0.066  3.50  #  4 CF
pair_coeff  5  5  0.053  2.95  #  5 FC
pair_coeff  6  6  0.0005 2.87  #  6 Li

bond_style harmonic
bond_coeff  1  372.01  1.570  #  1 NY-SY
bond_coeff  2  637.07  1.442  #  2 OY-SY
bond_coeff  3  235.42  1.818  #  3 CF-SY
bond_coeff  4  441.80  1.323  #  4 CF-FC

angle_style harmonic
angle_coeff  1   80.19  125.60  #  1 SY-NY-SY
angle_coeff  2   94.29  113.60  #  2 NY-SY-OY
angle_coeff  3   97.51  100.20  #  3 CF-SY-NY
angle_coeff  4  115.80  118.50  #  4 OY-SY-OY
angle_coeff  5  103.97  102.60  #  5 CF-SY-OY
angle_coeff  6   82.93  111.80  #  6 FC-CF-SY
angle_coeff  7   93.33  107.10  #  7 FC-CF-FC

dihedral_style opls
dihedral_coeff  1  0.000   0.000  -0.004   0.000  #  1 SY-NY-SY-OY
dihedral_coeff  2  7.833  -2.490  -0.764   0.000  #  2 SY-NY-SY-CF
dihedral_coeff  3  0.000   0.000   0.316   0.000  #  3 FC-CF-SY-NY
dihedral_coeff  4  0.000   0.000   0.347   0.000  #  4 FC-CF-SY-OY

special_bonds lj/coul 0 0 0.5
