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
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
