The 1.0 Beta version of OpenMM has just been released.  OpenMM is a freely downloadable, high performance, extensible library that allows molecular dynamics (MD) simulations to run on high performance computer architectures, such as graphics processing units (GPUs). It currently supports NVIDIA GPUs and provides preliminary support for the new cross-platform, parallel programming standard OpenCL, which will enable it to be used on ATI GPUs.

The new release includes support for Particle Mesh Ewald and custom non-bonded interactions.  In conjunction with this release, a new version of the code needed for accelerating the GROMACS molecular dynamics software using OpenMM is also available.

OpenMM is a collaborative project between Vijay Pande’s lab at Stanford University and Simbios, the National Center for Physics-based Simulation of Biological Structures at Stanford, which is supported by the National Institutes of Health. For more information on OpenMM, visit http://simtk.org/home/openmm.