On 11/19/13 5:54 AM, Prashant wrote:
Dear Users, i am new to MD SIMULATION field therefore excuse me for my beginner's queries .I wanted to run MD using CHARMM27 force field on my protein which has Zn ion as a co factor but while creating topology i encountered an error that Zn ion is not in the force field database.Is there a way out for this problem??How do i include Zn in my calculations??
Zinc is present in CHARMM27. You should not be getting any error. If you need help fixing the problem, you need to provide the exact command you typed and the exact (complete) output of what the error was.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. 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 ================================================== -- 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.