[gmx-users] force field for Titanium
mra_bu at yahoo.com
Wed Sep 25 15:29:15 CEST 2013
Thank you very much from your answer.
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.
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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