Published December 2, 2025 | Version v1
Computational notebook Open

BioExcel Webinar #87:The GROMACS tutorial suite: from basic to advanced applications

Authors/Creators

  • 1. ROR icon KTH Royal Institute of Technology

Description

The webinar will provide an overview of the GROMACS Tutorials Suite, hosted under tutorials.gromacs.org, covering methods from standard molecular dynamics to free energy calculation using alchemical transformations and enhanced sampling techniques. The content is regularly used in GROMACS training workshops and the tutorials are developed as interactive Jupyter notebooks, free for both online and offline use. The webinar will also teach you how to navigate the materials, install all the necessary software requirements and to how contribute to future training materials.

Files

GROMACS_tutorial_webinar.pdf

Files (2.7 MB)

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Additional details

Funding

European Commission
BioExcel-3 - BioExcel Centre of Excellence for Computational Biomolecular Research 101093290