Tutorials and Webinars¶

Tutorials¶

On the GROMACS tutorial page you find a collection of training resource and free online GROMACS tutorials, provided as interactive Jupyter notebooks.

Workshops materials¶

GROMACS workshop: Learn to code in GROMACS (2024)

  • lecture materials doi:10.5281/zenodo.13739992

GROMACS workshop: Learn to code in GROMACS (2023)

  • lecture materials doi:10.5281/zenodo.10276348

Workshop: How to run GROMACS efficiently on the LUMI supercomputer (2024)

  • overview and collaborative document used during the workshop

  • lecture and hands-on materials doi:10.5281/zenodo.10683366

GROMACS webinars¶

GROMACS

GROMACS-related webinars¶

Improvements in the GROMACS heterogeneous parallelization

Getting good performance in GROMACS default

Applying the Accelerated Weight Histogram method to alchemical transformations

NB-LIB: A performance portable library for computing forces and energies of multi-particle systems

Density guided simulations – combining cryo-EM data and molecular dynamics simulation

Cryo-EM structure refinement with density-guided simulations in GROMACS

A walk through simulation parameter options (.mdp files) for GROMACS

Accelerating sampling in GROMACS with the AWH method

GROMACS release webinars¶

What’s new in GROMACS 2025

GROMACS 2024: new features and improvements

What’s new in GROMACS 2023

What’s new in GROMACS 2022

What’s new in GROMACS 2021

What’s new in GROMACS 2020

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