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Software

POSSIM (POlarizable Simulations with Second-order Interaction Model) is a software package and a set of parameters designed for molecular simulations. The key feature of POSSIM is that the electrostatic polarization is taken into account using a previously introduced second-order fast polarization formalism (for the original reference see J. Comput. Chem. v. 24, pp. 267-276, (2003)).

POSSIM software suite includes modules for geometry optimizations, including those with the Fuzzy-Border continuum solvent model (at this point, the FB model is available for non-polarizable OPLS-AA - like simulations) and Monte Carlo runs, including those with the statistical perturbation theory employed to calculate changes in Gibbs free energy.

References on papers describing work carried our with POSSIM can be found in the Publications section of this site.

The letest version of POSSIM is 2.0. The manual and license can be viewed here. They are also included with the distribution.

Please contact George Kaminski at gkaminski@wpi.edu with questions regarding this software.

To download POSSIM please submit the following form and click on "Download Now" button.