[gmx-users] RE: Metal surfaces (Sergio Manzetti)

[Sergio Manzetti]

Thank you

On Thu, Apr 28, 2011 at 6:26 PM, Ran Friedman <ran.friedman at lnu.se> wrote:

> Hi,
>
> That's unlikely, but maybe the following publications can help you to build
> the surface:
>
>
> @Article{Iori2008,
> author = "Iori, F and Corni, S",
> title = {Including image charge effects in the molecular dynamics
> simulations of molecules on metal surfaces},
> journal = "J Comput Chem",
> year = "2008",
> volume = "29",
> pages = "1656-1666"
> }
>
> @Article{Iori2009,
> author = "Iori, F and Di Felice, R and Molinari, E and Corni, S",
> title = {{G}ol{P}: {A}n atomistic force-field to describe the interaction
> of proteins with {A}u(111) surfaces in water},
> journal = "J Comput Chem",
> year = "2009",
> volume = "30",
> pages = "1465-1476"
> }
>
> @article{Kalcher2009,
> Author = {Kalcher, I. and Horinek, D. and Netz, R. R. and Dzubiella, J.},
> Title = {{Ion specific correlations in bulk and at biointerfaces}},
> Journal = {JOURNAL OF PHYSICS-CONDENSED MATTER},
> Year = {{2009}},
> Volume = {{21}},
> Article-Number = {{424108}}
> }
>
> ------------------------------------------------
> Ran Friedman
> Biträdande Lektor (Assistant Professor)
>
> Linnaeus University
> School of Natural Sciences
> 391 82 Kalmar, Sweden
>
> Norrgård, room 328d
> +46 480 446 290 Telephone
> +46 76 207 8763 Mobile
> ran.friedman at lnu.se
> http://lnu.se/ccbg
> ------------------------------------------------
>
> Hello, does anybody have an idea if there are availbale PDB files which
> represent metal surfaces for transition state metals, to be used for MD?
>
> BW
>
> S
> --
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