Hi, all, I am wondering if GROMACS can be applied to the ST2 model of water. The unique character of this model is that there is a modulation function s(r) which modifies the electrostatic interactions. So the total potential is
U = U(LJ)+S(r)*U(coulombic), where s(r) is a function of the O-Odistance r, not the distances between the charges. I have been thinking about this for a long time and I really appreciate if someone could help me out here. Thanks. Yang
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