Ghemical Force Field (ghemical)ΒΆ

The Ghemical force field matches an existing open source package, which provided a force field for geometry optimization and molecular dynamics similar to the Tripos-5.2 force field method (which is proprietary). It performs acceptably on providing geometries of organic-like molecules.

We recommend use of either the Generalized Amber Force Field (gaff) or MMFF94 Force Field (mmff94) for organic molecules, and the Universal Force Field (uff) for other types of molecules.