OpenMM Zephyr

OpenMM Zephyr is a molecular simulation application for studying molecular dynamics of proteins, RNA, and other molecules.

Zephyr guides the user through a work flow for setting up and running a specialized version of the molecular dynamics application gromacs. This version of gromacs uses the OpenMM API for GPU-accelerated molecular simulations.

OpenMM Zephyr leads the user through the basic steps required to set up and run a simulation, and also to visualize the simulation results using VMD, a popular molecular visualization program.

OpenMM Zephyr displays the specific GROMACS commands being used, enabling motivated users to teach themselves how to run GROMACS from the command line so that they can eventually use the other options within GROMACS.

Get OpenMM Zephyr and give it a try to fully assess its capabilities!