[gmx-users] Supported features in Gromacs on GPU

[Andrew DeYoung]

Hi Mark,

Thanks so much for your time in answering my questions.  It helped me a lot.


Andrew DeYoung
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.

Mark