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).
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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