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
On Wed, Jan 29, 2014 at
On Tue, Jan 28, 2014 at 10:26 PM, Andrew DeYoung adeyo...@andrew.cmu.eduwrote:
Hi,
It seems that Gromacs support for GPU began with OpenMM (which works with
Gromacs 4.5). But starting with Gromacs 4.6, GPU support was native.
I am interested in which features are currently implemented for
