Share 
Follow 
AboutDownloadsDocumentsForumsWikiIssuesNews
Return to project news page

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 http://simtk.org/home/openmm. Click on “Downloads.”

Feedback