Open sef43 opened 1 year ago
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
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