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?
http://www.gromacs.org/Documentation/How-tos/Parameterization#Exotic_Species
I sincerely doubt that a traditional MM approach to simulating Ti will produce
anything particularly useful.
-Justin
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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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