[gmx-users] Supported features in Gromacs on GPU
adeyoung at andrew.cmu.edu
Fri Jan 31 21:25:42 CET 2014
Thanks so much for your time in answering my questions. It helped me a lot.
Carnegie Mellon University
These are all standard in 4.6. The GPU implementation there only does
non-bonded pair interactions, which affects none of the above. The
limitation in 4.5 was that the GPU did lots more parts of the computation,
and not all kinds of algorithms are amenable to that.
More information about the gromacs.org_gmx-users