Releases: seekrcentral/seekr2
Releases · seekrcentral/seekr2
2.1.7-beta
- Enabled SEEKR to use OpenMM system XML files as input parameters/topology for a system.
- Implemented support for RMSDPlus force plugin, which can have different align and RMSD particles
- Attempting to add duecredit to this project for easier citation. Also added more citation details to RTD, including BibTex files.
- Enhancements to plotting of convergence.
- Bugfixes for milestoning statistics connectivity check, plotting, and convergence analysis.
2.1.6-beta
Bugfixes for convergence plots.
Corrections to CVs including addition of a z-distance CV, which is intended to be used for membranes.
Some small bugfixes to checks and unit tests.
2.1.4-beta
Updated method that SEEKR2 uses to install - no longer uses setup.py, but properly uses pyproject.toml.
Supports Metadynamics in seekrtools HIDR.
Some bugfixes and corrections.