a heavily optimized molecular dynamics (MD) engine specially designed to run on NVIDA GPUs. It is extremely fast (115ns/day for DHFR using 1 GPU) and performs MD simulations on the microsecond scale in a single workstation. ACDMD can read CHARMM/NAMD and AMBER input files, works with CUDA and OpenCL, and uses similar syntax to other MD software.
ACEMD is freely available to non-profit labs, but each lab must register with Acellera before we can install the software. To include this software in your installation, please register here https://www.acellera.com/products/molecular-dynamics-software-gpu-acemd/getacemd/, then send a copy of your registration confirmation to us at firstname.lastname@example.org.