Yaff stands for “Yet another force field”. It is a pythonic force-field (FF) code used at the Center for Molecular Modeling (CMM) to test-drive new FF models. The original motivation to develop Yaff was to provide a good reference implementation of the force fields developed at the CMM. In its current version, Yaff is general and flexible enough to handle a large variety of force field models.
This guide is a gentle introduction to Yaff with many examples.
This guide is mostly generated automatically based on the doc strings in the source code.
The git repository is hosted at Github.