parameters                     NONE
verbose

a-axis                       72.684
octahedron
neighbor-list

ewald
pme-grid                   96 96 96
vdw-cutoff                     12.0
rattle                        WATER
tau-temperature                 1.0

vdwtype               LENNARD-JONES
radiusrule                GEOMETRIC
radiustype                    SIGMA
radiussize                 DIAMETER
epsilonrule               GEOMETRIC
dielectric                      1.0

atom         1    O     "O Water (TIP3P)"      8     15.999     2
atom         2    H     "H Water (TIP3P)"      1      1.008     1
vdw          1            3.150656111     0.152072595
vdw          2                  0.000     0.000
bond         1    2             529.6     0.9572
angle        2    1    2        34.05     104.52
ureybrad     2    1    2        38.25     1.5139
charge       1                 -0.834
charge       2                  0.417
