ACEMD high-throughput molecular dynamics
ACEMD is a production bio-molecular dynamics software specially optimized to run on graphics processing units (GPUs) on graphics cards. It reads CHARMM/NAMD and AMBER input files with a simple and powerful configuration interface. ACEMD allows performance equivalent to over 100 CPUs and microsecond long trajectories on workstation hardware. ACEMD is the computational engine behind one of the largest distributed computing project worldwide GPUGRID.net nowadays summing thousands of GPUs.
ACEMD works on Tesla and Geforce Nvidia GPUs. See benchmarks at http://www.acellera.com/acemd.
Message board at http://www.acellera.com/support/community
Documentation at http://www.acellera.com/support/documentation