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

[Steven Neumann]

Thanks! Was it different in previous GMX versions? It is stated that
gromacs 4.6 does not support CMAP but nothing about 5.0 version that this
was fixed.
How can I potentially check this it is correctly captured?



On Mon, Sep 15, 2014 at 3:17 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> 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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