Most molecular dynamics simulations use the TIP3P and TIP4P water models with the Particle-Mesh Ewald (PME) method to evaluate coulomb interactions in water molecules. In this project, I develop the TIP3G and TIP4G forcefields which model point charges as gaussian charges: these models run as fast as TIP3P and TIP4P with PME and produce significantly more accurate water properties (see the reports in the results folder for comparisons of these models).
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jisraeli/GaussianCharges
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An adaption of PME that models nonbonded interactions using gaussian charges instead of point charges.
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