[gmx-users] openmm

Mark Abraham Mark.Abraham at anu.edu.au
Sat Jul 18 05:48:42 CEST 2009

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 


More information about the gromacs.org_gmx-users mailing list