H2O TIP4P
units  kJ
molecules 1
TIP4P  water  
nummols 512
atoms 4
   OW        15.9996     0.0     
   HW        1.0008      0.52422   
   HW        1.0008      0.52422
   MW        0.0        -1.04844
rigid 1
    4    1    2    3    4
finish
vdW 6
    OW      OW   lj  0.680946     3.16435 
    OW      HW   lj  0.0          0.0     
    HW      HW   lj  0.0          0.0   
    OW      MW   lj  0.0          0.0
    HW      MW   lj  0.0          0.0
    MW      MW   lj  0.0          0.0
close