[Openmm-team] gromacs + gpu

[Peter Eastman]

Hi Aleksandr,

The current preview release of OpenMM just includes (very slow)  
reference implementations of the kernels, no GPU code.  But the next  
release will have GPU kernels, and also include a version of Gromacs  
that has been modified to use OpenMM.   We're expecting to release  
that in December.  So the answer to your question is, "Not quite yet,  
but just hold on a couple of months."

Peter


On Oct 11, 2008, at 5:02 PM, Aleksandr Savitskii wrote:

> Hi. I see you doing possible calculations with gpu acceleration  
> based on OpenMM? Thats great news. Can I use it (GPU + OpenMM) on  
> gromacs\amber soft for molecular dynamics? What would be nescessary  
> for working with your soft after release?
> I know, that F at H use GPU with gromacs.... so, i need your help. Thanks
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> Openmm-team mailing list
> Openmm-team at simtk.org
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