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 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

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