OpenMM 8.1.2

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Peter Eastman
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OpenMM 8.1.2

Post by Peter Eastman » Tue Jul 16, 2024 7:57 am

We've released version 8.1.2. This is a patch release that fixes a few mostly minor issues. The most important one is to work around a change in the latest version of GAFF that was causing parameterization of small molecules with openmmforcefields to fail. See https://github.com/openmm/openmm/releases/tag/8.1.2 for the full list of changes.
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