• Open Force Field Initiative
• Open Force Field Toolkit
  • Installation
    • Installing via conda
    • Required dependencies
  • Release History
    • 0.2.0
    • 0.1.0
  • The SMIRks Native Open Force Field (SMIRNOFF) specification v0.2
    • Authors and acknowledgments
    • Representations and encodings
    • Reference implementation
    • Support for molecular simulation packages
    • Basic structure
    • Units
    • SMIRNOFF independently applies parameters to each class of potential energy terms
    • Partial charge and electrostatics models
    • Parameter sections
    • Advanced features
    • The openforcefield reference implementation
    • Version history
  • Examples using SMIRNOFF with the toolkit
    • Index of provided examples
  • Developing for the toolkit
    • Style guide
    • Contributing
    • How can I become a developer?
  • Frequently asked questions (FAQ)
    • Input files for applying SMIRNOFF parameters
    • Can I use an AMBER (or GROMACS) topology/coordinate file as a starting point for applying a SMIRNOFF force field?
    • What about starting from a PDB file?
    • What do you recommend as a starting point?
  • Molecular topology representations
    • Primary objects
    • Secondary objects
  • Forcefield typing tools
    • Chemical environments
    • Forcefield typing engines
  • Utilities
    • Toolkit wrappers
    • Serialization support
    • Structure tools
    • Miscellaneous utilities
• Page
  • Developing for the toolkit
    • Style guide
    • Contributing
    • How can I become a developer?
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