[gmx-users] force field for Titanium

[Justin Lemkul]

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

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