[gmx-users] force field for Titanium

[mohammad agha]

Thank you very much from your answer.
Best Regards
Sara




________________________________
 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?
>

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.
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