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 Cheers, Alan -- Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate Department of Biochemistry, University of Cambridge. 80 Tennis Court Road, Cambridge CB2 1GA, UK. >>http://www.bio.cam.ac.uk/~awd28<< _______________________________________________ gmx-users mailing list [email protected] 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 [email protected]. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
