Open Force Field Toolkit
0.2.0+17.gc166684
- Open Force Field Initiative
-
Open Force Field Toolkit
- Installation
- Release History
- 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
openforcefieldreference implementation - Version history
- Examples using SMIRNOFF with the toolkit
- Developing for the toolkit
- Frequently asked questions (FAQ)
- Page
- Installation »