On 1/20/16 3:48 AM, Dries Van Rompaey wrote:
Hi Justin and Marco, Thanks for your reply. I get this behaviour when I specify the default NH3+ and COO- termini through -ter, as well as when I don't use the -ter flag. Selecting the COOH terminus type removed the warning for the C-terminus, but selecting the NH2 terminus type did't remove the warning for the N-terminus. That's not a very physiological state, however. Can anyone replicate this error?
I can't trigger the same with 5.1 or with current git master. Try from a fresh install and make sure no one has messed with your force field files.
-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.
