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 speed ups of over 100X were achieved in some cases using OpenMM. The current release includes a version of GROMACS that integrates the OpenMM library, enabling it to be sped up on high-end NVIDIA and AMD/ATI graphics boards.

AVAILABILITY

OpenMM can be downloaded from http://simtk.org/home/openmm. OpenMM Zephyr, an easy-to-use application for MD that uses GROMACS-OpenMM, is available from http://simtk.org/home/zephyr.

FOR MORE INFORMATION

Read the full press release here: http://news-service.stanford.edu/pr/2009/pr-molecmorel-021109.html