The easiest way to start using MDANSE is to download an installer from latest release. There, we provide installers for the major operating systems, Windows, Linux and MacOS. The typical workflow will look as follows:
For a more detailed guide on how to use MDANSE, please see the MDANSE User Guide
Following trajectory converters are currently implemented in MDANSE
Following analyses can be computed using MDANSE
Dynamics
Infrared
Scattering
Structural
Thermodynamics