[ atomtypes ] ;name at.num mass charge ptype c6 c12 C 6 12.0110 -0.010 A 0.0019777255 4.1734223e-06 OE 8 15.9994 -0.340 A 0.0010807004 6.9784497e-07 H 1 1.00800 0.090 A 0.0001085175 2.0103758e-08 OT 8 15.9994 -0.834 A 0.0024895404 2.4347674e-06 HT 1 1.00800 0.417 A 3.153970e-09 1.2921300e-17 OW 8 15.999400 -0.834 A 2.489570e-03 2.4348200e-06 ; TIP3p O HW 1 1.008000 0.417 A 0.0000000000 0.00000000000 ; TIP3p H [ nonbond_params ] ; i j func c6 c12 C OE 1 0.00146196 1.70658e-06 C H 1 0.000463268 2.89658e-07 C OT 1 0.00221892 3.18768e-06 C HT 1 2.49754e-06 7.34343e-12 OE H 1 0.000342454 1.18445e-07 OE OT 1 0.00164026 1.30349e-06 OE HT 1 1.84621e-06 3.00284e-12 H OT 1 0.000519767 2.21242e-07 H HT 1 5.8503e-07 5.09673e-13 OT HT 1 2.80213e-06 5.60895e-12