# SPC/E water (kJ/mol, A, deg)

ATOMS
#   type  m/uma    q/e    pot   pars
Ow  Ow   15.999   -0.8476 lj    3.1655   0.6503
Hw  Hw    1.008    0.4238 lj    1.0000   0.0000

BONDS
# i j    pot    re/A    ka/kJmol-1
Ow  Hw   cons   1.000   4331.53

ANGLES
# i  j  k    pot    th/deg   ka/kjmol-1
Hw  Ow  Hw   cons   109.47   317.57
