On 2/6/15 8:47 AM, WT Ren wrote:
Dear Justin: Sorry to bother you again When I did a long flat-bottom distance restraint(about 2nm), I got the error message: “There is no domain decomposition for 8 nodes....” So is there any way to do a long distance restraint properly.
Restraints limit DD cell size, so you're limited to fewer DD cells or not using DD at all (OpenMP only).
-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.
