¹

MDAnalysis is a Python toolkit to analyze molecular dynamics trajectories generated by a wide range of popular simulation packages including CHARMM, Amber, NAMD, LAMMPS, and Gromacs.

Source code is hosted in a git repository at

https://github.com/MDAnalysis/mdanalysis

and is available under the GNU General Public License, version 2 (see the file LICENSE).

This is the top level of the master repository. It contains

1. the MDAnalysis toolkit source files in the directory :

   package/

2. the unit tests together with any input files required for running those tests in the directory :

   testsuite/

The directory maintainer contains scripts only needed for maintaining releases and are not generally useful for the user or the typical developer. The vm directory contains configurations for virtual machines.

(For more details on the directory layout see Issue 87 on the MDAnalysis issue tracker.)