Amsterdam Modeling Suite

Force Fields

GFN-FF, APPLE&P and more

GFN-FF is an automated, polarizable force field for elements up to radon, with built-in parameters and automatic atom typing. APPLE&P is a polarizable force field for electrolytes, ionic liquids, polymers, solvents, additives, energetic materials, and battery-relevant systems.

Classical force fields such as UFF, Amber95, Tripos 5.2, and GAFF are available through the ForceField engine. AMS provides graphical setup, execution, trajectory analysis, and integration with AMS Driver workflows.

 

Scm force fields@2x

Viscosity via the Green-Kubo relation

The viscosity of bulk material can be calculated from MD trajectories with the help of the Green-Kubo relation. The required auto correlation function of the off-diagonal pressure tensor elements, can conveniently be calculated from within AMSmovie with a few clicks.

Tutorial

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