1parameters NONE 2#verbose 3 4group-molecule 5integrator RIGIDBODY 6 7a-axis 9.3215 8cutoff 9.0 9neutral-groups 10 11vdwtype LENNARD-JONES 12radiusrule GEOMETRIC 13radiustype SIGMA 14radiussize DIAMETER 15epsilonrule GEOMETRIC 16dielectric 1.0 17 18atom 1 O "O Water (TIP3P)" 8 15.999 2 19atom 2 H "H Water (TIP3P)" 1 1.008 1 20vdw 1 3.150656111 0.152072595 21vdw 2 0.000 0.000 22bond 1 2 529.6 0.9572 23angle 2 1 2 34.05 104.52 24ureybrad 2 1 2 38.25 1.5139 25charge 1 -0.834 26charge 2 0.417 27