On 3/20/14, 11:51 PM, ookami a wrote:
Dear all: I'm trying to set up a bdc only with xy, so I edited my mdp file with changing the bdc =xyz to bdc = xy. However, I got a error message which is "Can not have Ewald with pbc=xy" Anyone know how to solve it?
Per the manual, you can't use an Ewald summation method or pressure coupling in this case, unless you are using walls.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Ruth L. Kirschstein NRSA Postdoctoral Fellow Department of Pharmaceutical Sciences School of Pharmacy Health Sciences Facility II, Room 601 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.
