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OpenMM Cookbook and Tutorials

Tutorials and examples for quickly getting started with OpenMM

OpenMM 7 Tutorials

These tutorials are described in the OpenMM 7 PLoS Computational Biology paper:

  • Alchemical free energy calculations
  • Beta-2-adrenergic receptor (B2AR) membrane protein simulation with CHARMM
  • Histone methyltransferase simulation with multisite Zn2+ structural ions
  • Histone methyltransferase simulation with a multisite water model (TIP4P-Ew)
  • HSP90 with multisite Hg2+

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