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May 31, 2012

OpenMM 4.1 Now Available

By Joy Ku

We are pleased to announce the release of OpenMM 4.1. This latest release provides a number of bug fixes, optimizations, and new features, including:

Model building tools: You can now add hydrogen atoms, add solvent, and make other changes to your PDB file all within OpenMM. The results can immediately be used to run a simulation in OpenMM. This extends the capabilities of OpenMM’s new application layer – an easy-to-use, Python-based interface.

Custom integrators: In addition to creating custom forces, with OpenMM 4.1, you can now implement a wide range of integration methods.

Virtual sites: You can now create virtual massless particles, whose position is computed from the positions of other particles rather than from integration the equations of motions.

Support for new water models: TIP4P-E2 and TIP5P water models are now available in OpenMM.

You can download the latest version from Click on “Downloads.”