MD (Molecular dynamics) manager is a work in progress project that aims to simply and automate the setup, running, management and analysis of molecular dynamics simulations. The key features intend to support the submission and management across multiple different clusters, use of multiple MD packages (gromacs and NAMD initially), a simulation setup wizard, automated analysis on job completion or user request and alerts on various errors or events.

Currently there are no documents or setup instructions.

If you request assistance in use of the software, please email: [email protected]