On Mon, Apr 8, 2013 at 5:54 AM, Dr. Vitaly Chaban <vvcha...@gmail.com>wrote:
> If you do not care about the atoms, which are too far away from the region > of interest, is it not reasonable just to cut that "useless" part? Also, > Hear hear. If it's so meaningless, why is it there? ;) > you may want to look towards implicit solvent simulations. > > Indeed. Or use GPU's. Erik was showing us great performance on a laptop during the webinar, even using (relatively) cheap consumer-grade cards. Back to the original point (and as I posted before), even if you freeze some amount of atoms, you don't gain any performance by doing so. -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- 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
