BioSim Workflows aiida-gromacs Tutorials
A selection of tutorials are provided to help you develop skills in biomolecular simulation on the JupyterHub platform. These resources include tutorials with pre-loaded user environments for using aiida-gromacs to produce provenance workflows for biomolecular simulations:
- Lysozyme MD simulation with aiida-gromacs
- GPCR coarse-grained simulation setup with aiida-gromacs
The GROMACS plugin for AiiDA aims to enable the capture and sharing of the full provenance of data when parameterising and running molecular dynamics simulations.
To find out more about these, and the other biomolecular simulation tutorials, see the CCPBioSim JupyterHub Tutorials.
What to do next
- Find out more about our Biomolecular Simulations Resource Theme
- Try our Machine Learnt Interatomic Potentials tutorials
- Watch a Webinar from our list
- Find current and past in-person training opportunities Events
Related links:
- Take a look at our self-paced learning
- Galaxy Training
- Elixir TeSS: extensive training materials with a focus on computation in the life sciences, but many courses are also relevant for the physical sciences community.
About this page
- Creator: Cerys Willoughby
- Last modified date: 2025-04-14
- License: CC-BY-4.0
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