The OpenMM Tutorials

Basic Tutorials

• Protein in Water

Coarse-Graining

• Coarse-Grained Polymer

Advanced Tutorials

• Alchemical free energy calculations
• Beta-2-adrenergic receptor (B2AR) membrane protein simulation with CHARMM
• HSP90 with ADP:Mg2+ simulation
• Histone methyltransferase simulation with a multisite water model (TIP4P-Ew)
• Histone methyltransferase simulation with multisite Zn2+ structural ions
• Run a REST simulation
• Umbrella Sampling