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. Author manuscript; available in PMC: 2012 Apr 15.
Published in final edited form as: J Comput Chem. 2010 Oct 5;32(5):967–977. doi: 10.1002/jcc.21681

Table 7.

Force Field Parameters of TIP3P-like water model. Only non-zero parameters are listed.

O-H bond b0(Å) Kb (kcal/Å2/mol)
0.9572 529.6
H-O-H angle θ0 (deg) Kθ (kcal/deg2/mol)
108.5 34.05
Urey-Bradley l0 (Å) Kl (kcal/Å2/mol)
1.5537 38.25
van der Waals R0 (Å) ε (kcal/mol)
O 3.505 0.1100
H 2.655 0.0040
H reduction 91%
Charge (a.u.)
O −0.89200
H 0.44600