[gmx-users] GPU GROMACS

Berk Hess gmx3 at hotmail.com
Thu Mar 4 12:20:56 CET 2010


OpenMM can do pbc and it can simulate molecules, so it can also simulate solvents.


> Date: Wed, 3 Mar 2010 10:52:54 -0500
> From: js at drugdiscoveryathome.com
> To: gmx-users at gromacs.org
> Subject: [gmx-users] GPU GROMACS
> Is anyone working on a build GROMACS with CUDA other than the OpenMM
> project? I would like to build this with explicit solvents and as I
> understand it, OpenMM is implicit.
> -- 
> Jack
> http://drugdiscoveryathome.com
> http://hydrogenathome.org
> -- 
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