1parameters NONE 2verbose 3 4a-axis 72.684 5octahedron 6neighbor-list 7 8ewald 9pme-grid 96 96 96 10vdw-cutoff 12.0 11rattle WATER 12tau-temperature 1.0 13 14vdwtype LENNARD-JONES 15radiusrule GEOMETRIC 16radiustype SIGMA 17radiussize DIAMETER 18epsilonrule GEOMETRIC 19dielectric 1.0 20 21atom 1 O "O Water (TIP3P)" 8 15.999 2 22atom 2 H "H Water (TIP3P)" 1 1.008 1 23vdw 1 3.150656111 0.152072595 24vdw 2 0.000 0.000 25bond 1 2 529.6 0.9572 26angle 2 1 2 34.05 104.52 27ureybrad 2 1 2 38.25 1.5139 28charge 1 -0.834 29charge 2 0.417 30