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@sef43 sef43 commented Oct 3, 2023

Adds a new basic tutorial for loading and parameterising a small molecule with OpenFF-toolkit and OpenMM-forceFields for use in OpenMM. From the workshop materials: https://github.com/openmm/openmm_workshop_july2023
cc @jmichel80

Rendered version can be seen in my personal repo version:
https://sef43.github.io/openmm-cookbook/PR7/notebooks/tutorials/protein_ligand_complex.html

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