Optimizing Lambda Schedules for Alchemical Free Energy Calculations =================================================================== | XXX\ :sup:`1`, YYY\ :sup:`1`, and Darrin M. York\ :sup:`1` | :sup:`1`\ Laboratory for Biomolecular Simulation Research, Institute for Quantitative Biomedicine and Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, NJ 08854, USA Learning objectives ------------------- .. start-learning-objectives - Use FFPOPT to Run Dihedral Scans for a Simple Molecule - Use FFPOPT with a Machine Learning Potential to Fit New Dihedral Parameters .. end-learning-objectives Relevant literature ------------------- - Coming Soon! Tutorial -------- .. contents:: :local: :depth: 4 .. start-tutorial Optimizing Lambda Schedules ~~~~~~~~~~~~~~~~~~~~~~~~~~~ .. end-tutorial