DL POLY FIELD file for the TIP4P/Ice model

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

Water TIP4P/Ice
UNITS kcal
molecular types  1
TIP4P/Ice water
nummols 1
atoms 4
   OW       15.9996      0.0000    1
   HW       1.00080      0.5897    1
   HW       1.00080      0.5897    1
   OM       0.00000     -1.1794    1
rigid bodies 1
   4    1    2    3    4
FINISH
vdw   6
   OW      OW   lj  0.21083      3.1668
   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
close