[gmx-users] openmm

Alan alanwilter at gmail.com
Sat Jul 18 01:19:56 CEST 2009

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


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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