remarks file toppar/water.param 
remarks   water parameters for structure determination 
remarks
remarks   available: Jorgensen TIPS3P model

set echo=false end


 checkversion 1.2



{* TIP3P model *}
{* =========== *}
bond ht   ot     450.0       0.9572    ! from TIPS3P geometry 
bond ht   ht       0.0       1.5139    ! from TIPS3P geometry 
angle ht   ot   ht      55.0     104.52    ! FROM TIPS3P geometry


{* for solute-water interactions *}
nonbonded ot        0.1591   2.8509     0.1591   2.8509  !TIP3P water oxygen
nonbonded ht        0.0498   1.4254     0.0498   1.4254  !TIP3P water hydrogen


{* for water-water interactions *}
!!-------------------EPS-------SIGMA---------EPS14---SIGMA14-----------------
!! nonbonded ot      0.1521   3.1506       0.1521  3.1506 !TIP3P water oxygen
!! nonbonded ht      0.04598  0.4000       0.04598 0.4000 !TIP3P water hydr.

!! this should be the last nbfix !! any new atom type will use 
!! these parameters for mixing rules !!
!---------------A--------------B--------------A14-----------B14-----
nbfix ot  ot  581980.4948  595.0436396     581980.4948  595.0436396
nbfix ht  ht  3.085665E-06 7.533363E-04    3.085665E-06 7.533363E-04
nbfix ht  ot  327.8404792  10.47230620     327.8404792  10.47230620 

set echo=true end