Hi Grita, Yes it is. You need to re-compile a GPU version of Gromacs from source codes. You also need to use Verlet cutoff-scheme. That is, place a new line like
cutoff-scheme = Verlet in your mdp file. Finally, run the GPU version of mdrun, adding a parameter -gpu_id 0 if you have one GPU in your box. hope this helps. Dwey -- View this message in context: http://gromacs.5086.x6.nabble.com/GPU-version-of-Gromacs-tp5010581p5010606.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- 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/Support/Mailing_Lists/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/Support/Mailing_Lists
