DL POLY FIELD file for the TIP4P/2005 model

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The following is a FIELD file for the TIP4P/2005 model of water for use in the DL_POLY computer simulation package.


Water TIP4P/2005 
UNITS kcal
molecular types  1
TIP4P/2005 water
nummols 1
atoms 4
   OW       15.9996      0.0000    1
   HW       1.00080      0.5564    1
   HW       1.00080      0.5564    1
   OM       0.00000     -1.1128    1
rigid bodies 1
   4    1    2    3    4
FINISH
vdw   6
   OW      OW   lj  0.18519      3.1589
   HW      HW  hbnd 0000.00      0.0000
   HW      OW  hbnd 000.000      0.0000
   OM      OM  hbnd 0.00000      0.0000
   OM      OW  hbnd 0.00000      0.0000
   OM      HW  hbnd 0.00000      0.0000
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