Welcome to the GROMACS tutorials!

This is the home of the free online GROMACS tutorials. The tutorials are provided as interactive Jupyter notebooks. This is the same content regularly used in training workshops around GROMACS. You can download the notebooks to run on your own computer, or run them right now in your browser, thanks to mybinder.org.

Jupyter notebooks are a popular way to provide online interactive computational content. If they are new for you, then perhaps you would like to check out a quick Youtube video first.

Available tutorials


All the GROMACS tutorials available from this site are freely licensed under the CC-BY-4.0 You are welcome to use them in any way, download them for personal use or use in your own teaching. Please acknowledge the funding agencies who supported this work and the people who developed the content.


The tutorial developers are supported by two projects with a mission to deliver high-quality training in molecular simulations, namely BioExcel and ENCCS. Funding from the European Commission and the Swedish Research Council is gratefully acknowledged.

_images/Bioexcel.png _images/ENCCS.png

Other GROMACS training resources