[gmx-users] force field for Titanium

Justin Lemkul jalemkul at vt.edu
Wed Sep 25 13:37:56 CEST 2013

On 9/25/13 4:54 AM, mohammad agha wrote:
> Dear Gromacs Specialists,
> I am searched force field for Titanium (Ti) element. Parameters consist of sigma and epsilon. Can you help me, Please?


I sincerely doubt that a traditional MM approach to simulating Ti will produce 
anything particularly useful.



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

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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