Christmas comes early! We've released a beta of OpenMM 7.1, packed with speed improvements and new features, including:
- Optimized clang builds of both Anaconda packages and ZIP installers, offering anywhere from a 30% to 50x boost for some applications that use the CPU platform.
- Custom Forces can now compute energy derivatives with respect to global parameters! Lambda dynamics can now be implemented via a CustomIntegrator.
- Gay-Berne ellipsoid potential!
- Bonded forces can now use periodic boundary conditions.
To get the updated OpenMM conda package, use the beta channel:
conda install -c omnia/label/beta openmm==7.1.0
If you have already been using the dev channel 7.1.0 nightly builds, force a downgrade first:
# Force downgrade to 7.0.1 conda install --yes -c omnia openmm==7.0.1 # Clear local cache conda clean -plti --yes # Install the beta conda install --yes -c omnia/label/beta openmm==7.1.0
Nightly dev builds are now called 7.2.0. You can always get the latest version with:
conda install --yes -c omnia/label/dev openmm