[gmx-users] force field for Titanium

mohammad agha mra_bu at yahoo.com
Wed Sep 25 15:29:15 CEST 2013

Thank you very much from your answer.
Best Regards

 From: Justin Lemkul <jalemkul at vt.edu>
To: mohammad agha <mra_bu at yahoo.com>; Discussion list for GROMACS users <gmx-users at gromacs.org> 
Sent: Wednesday, September 25, 2013 3:07 PM
Subject: Re: [gmx-users] force field for Titanium

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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