OpenMM Molecular Dynamics Simulation Software with GPU Acceleration Released by Stanford University

February 27th, 2009

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). Significant performance speedups of 100 times were achieved in some cases by running OpenMM on GPUs in desktop PCs (vs CPU). The new release includes a version of the widely used MD package GROMACS that integrates the OpenMM library, enabling acceleration on high-end NVIDIA and AMD/ATI GPUs. 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, go to (Full press release.)