Amsterdam Modeling Suite

Force Fields

GFN-FF, APPLE & P and more

The polarizable force field GFN-FF by Spicher and Grimme is an automated, polarizable Force Field for most of the periodic table. It combines speed with near quantum accuracy. APPLE&P is another polarizable force field, especially well suited for (many) electrolytes and polymers. Non polarizable force fields include the universal force field UFF, Amber95, Tripos 5.2 and GAFF. All force fields are supported by the GUI for both setup, execution and analysis of results.

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.


Fedor goumans profile

Not sure what modeling tools you need for you research project?