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Wang L-P., Head-Gordon T., Ponder J., Ren P., Chodera J., Eastman P., Martinez T.J. and Pande V.S. Systematic Improvement of a Classical Molecular Model of Water, J. Phys. Chem. B 2013, 117, 9956–9972. (2013)
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The purpose of this project is to provide an easy-to-access repository of information pertaining to the iAMOEBA water model.

License: iAMOEBA

iAMOEBA is an inexpensive and highly accurate polarizable water model. It is based on the AMOEBA model (Ren and Ponder, J. Phys. Chem. B, 2003). We make use of the direct polarization approximation, which decreases the computational cost. The parameters are optimized using the ForceBalance software (https://simtk.org/home/forcebalance).

Downloads

1) iAMOEBA parameter file for use with TINKER.

2) Simulation results using iAMOEBA potential.

3) iAMOEBA model-related posters and multimedia.

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