The **flexible simple point charge water model**^{1)} (or Flexible SPC water model) is a re-parametrization of the three-site SPC water model. The SPC model is rigid, whilst the flexible SPC model is elastic with anharmonic O-H stretching. This is one of the most accurate three-center water models without taking into account the polarization. In molecular dynamics simulations it gives the correct density and dielectric permittivity of water.^{2)}

Properties^{3)} | 3-site model^{4)} | Experiment |
---|---|---|

density, g/cm^{3} | 1.002 | 0.99716 |

temperature of maximum density (TMD), ºC | -22 | +4 |

heat of vaporization, kcal/mol | -11.53 | -10.5 |

dielectric permittivity | 91 | 78 |

diffusion coefficient | 2.4 | 2.3 |

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