On 11/25/14 1:23 AM, Sathish Kumar wrote:
Hai gromacs users, Can we use the direction-periodic mdp option while running the samplling of windows instead of distance. The distance option was giving error that Distance of pull group 1 (15.017257 nm) is larger than 0.49 times the box size (15.033495) . So, for all windows can i use the option direction-periodic instead of distance.
You can use whatever geometry makes sense. There is no reason to believe that any particular geometry is inherently "right" or "wrong" for any given purpose, and generally speaking, if utilized properly, you can usually use any of the geometry options to achieve equivalent effects.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 629 University of Maryland, Baltimore 20 Penn St. Baltimore, MD 21201 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.