/usr/share/gromacs/top/charmm27.ff/tips3p.itp is in gromacs-data 4.5.5-2.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 | ; CHARMM TIP3P [MacKerell et al. J Phys Chem B, 1998] with LJ interaction
; sites on the hydrogens, about 2 times slower than the original TIP3P model
[ moleculetype ]
; molname nrexcl
SOL 2
[ atoms ]
; id at type res nr residu name at name cg nr charge
1 OT 1 SOL OW 1 -0.834
2 HT 1 SOL HW1 1 0.417
3 HT 1 SOL HW2 1 0.417
#ifndef FLEXIBLE
[ settles ]
; i j funct length
1 1 0.09572 0.15139
[ exclusions ]
1 2 3
2 1 3
3 1 2
#else
[ bonds ]
; i j funct length force.c.
1 2 1 0.09572 376560.0 0.09572 376560.0
1 3 1 0.09572 376560.0 0.09572 376560.0
[ angles ]
; i j k funct angle force.c.
2 1 3 1 104.52 460.24 104.52 460.24
#endif
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