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The extended simple point charge (SPC/E) model is one of many classical water models and remains a popular choice for use in molecular simulation. Originally introduced by Berendsen et al. , the model consists of point charges located at the nuclear positions of the hydrogen and oxygen atoms. In addition to the intermolecular electrostatic interactions, oxygen atoms interact through a Lennard-Jones potential. The hydrogen-oxygen bond distance is fixed at 1 Å and the hydrogen-oxygen-hydrogen bond angle is fixed at 109.5°.