[gmx-users] Does Gmx 5.0 on GPUs support CMAP in Charmm?

Mark Abraham mark.j.abraham at gmail.com
Mon Sep 15 09:17:58 CEST 2014


Hi,

That's very likely. GPU support in 5.0 is only for non-bonded interactions,
and CMAP is a bonded interaction. Of course, you could try it and see ;-)

Mark

On Mon, Sep 15, 2014 at 4:56 AM, Steven Neumann <s.neumann08 at gmail.com>
wrote:

> Please, advise.
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