[gmx-users] Re: openmm

Alan alanwilter at gmail.com
Sat Jul 18 12:35:40 CEST 2009

Dear Mark,

Thanks. I reread those file carefully and noticed the "only implicit
solvent". Sorry for that. I am building my test case here to see by
myself how fast it can be.


On Sat, Jul 18, 2009 at 11:00, <gmx-users-request at gromacs.org> wrote:

> Alan wrote:
>> Hi list, does anyone have an example (input pdb, gmx commands and
>> md.mdp for example) to test gromacs with and without openmm?
>> The case I use here (with explicit water) didn't show me any speed up
>> (comparing with mpirun -c 2 mdrun_mpi...).
>> I am using Mac Leopard 10.5.7 with Cuda drivers and gromacs 4.0.5
> This would be expected if you read the OpenMM README.... or see
> http://oldwiki.gromacs.org/index.php/OpenMM_GROMACS
> Mark
Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
Department of Biochemistry, University of Cambridge.
80 Tennis Court Road, Cambridge CB2 1GA, UK.

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