DL_POLY: SPC water model
UNITS kJ
MOLECULAR TYPES 1
SPC water
NUMMOLS 141
ATOMS 3
OW           16.0000       -0.82    1    0    1
HW            1.0008        0.41    2    0    1
CONSTRAINTS 3
    1    2    1.000000
    1    3    1.000000
    2    3    1.633283
FINISH
VDW 3
OW      OW        lj     0.63178      3.166   
OW      HW        lj     0.00000      0.000
HW      HW        lj     0.00000      0.000
CLOSE

RIGID BODIES 1
    3    1    2    3