OpenSMOG history
Updates
- 1.1.1
- Simplified handling of energy minimization steps
- Introduced modifications to ensure compatibility with OpenMM 7.7.0
- Introduced changes to reporters to ensure consistent units
- Introduced changes to splash message
- Improved accessibility of help option
- Allow static cutoffs to be defined by SMOG 2 XML files
- Added support for additional integrators
- Added more error messaging to catch common user mistakes
- Integrated OpenSMOG-check within OpenSMOG distribution
- 1.1
- Support added for custom nonbonded parameters and potentials
- Support added for use of global constants
- Improved support for various trajectory file formats
- Added wrapper for energy minimization
- 1.0.4
- Minor compatibility issues resolved
- 1.0
- Initial release. Support included for custom potentials for contact interactions.
Please direct questions and comments to info@smog-server.org.
Page created and maintained by Jeff Noel and Paul Whitford