OpenMM 3.1.1 released

By Joy Ku

We are pleased to announce the release of version 3.1.1 of OpenMM. In this release, the ability to parallelize calculations across multiple GPUs has been added for the OpenCL platform. There have also been large performance improvements, especially to the AMOEBA plugin. Benchmarks for OpenMM and the AMOEBA plugin are now available at http://wiki.simtk.org/openmm/Benchmarks. Additional features include support of the direct polarization model for the AMOEBA plugin and the GB/VI force [1]. Download the latest version of OpenMM from http://simtk.org/home/openmm. [1] Labute P, “The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area,” J Comput Chem (2008), 29(10): 1693–1698