2026 Amber Workshop Tutorials
Welcome to the 2026 Amber Workshop Tutorials!
This workshop is taking place in Donostia, Basque Country, Spain from July 13th to July 17th, 2026.
For details and registration, see the workshop web page: 2026 Amber Workshop.
Warning
These tutorials are currently under development! Please check back closer to the workshop date for the finalized versions.
Day 1: Introduction to force fields, visualization, and Amber
Day 2: Generating non-standard force-field parameters in Amber
- Hands-On Session 3: Building Protein-Ligand Complexes Containing Non-standard Residues with Antechamber
- Hands-On Session 4: Building Ribozyme-Substrate Complexes Containing 12-6-4 Divalent Ions and Non-Standard Residues
- Hands-On Session 5: Using QM and Machine Learning Potentials to Parameterize Torsion Terms for Flexible Molecules
Day 3: QM/MM and Delta Machine Learning Potential Models and Free Energy Surfaces
Day 4: Alchemical Free Energy Methods
Day 5: Machine Learning Models for Accurate Free Energy Predictions
- Hands-On Session 11: Training Machine Learning Potentials for Enzyme Design to Ab Initio QM/MM Target Data Using Active Learning
- Hands-On Session 12: Using Machine Learning Potentials to Book-End Drug Discovery Simulations
- Hands-On Session 13: Training AI-FEP Models for High-Throughput Virtual Screening