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. 2024 Aug 15;14(35):25712–25727. doi: 10.1039/d4ra02685c

Comparison between the bonded and non-bonded parameters of two commonly used simple force fields for water.

Model Bond Angle pcO r min [Å] εk [kcal mol−1]
SPC/ε 1.0000 109.45 −0.89000 1.7838728 0.168704
OPC3 0.97888 109.47 −0.89517 1.7814988 0.163406