[gmx-users] Silica Nanoparticles

[Suzen, Mehmet]

You may try to use special potential designed for amorphous silica:

A numerical investigation of the liquid–vapor coexistence curve of silica
Yves Guissani and Bertrand Guillot
J. Chem. Phys. 104, 7633 (1996)



On 22 April 2014 17:12, Kazem Sepehrinia <ksepehrinia at gmail.com> wrote:
> Hi Dear All,
>
> Have any of you guys prepared silica nanoparticles in your Molecular
> Simulation studies? I used some open databases for obtaining of bulk
> amorphous silica file. But i'm not able to prepare silica nanoparticles.
> Once again i used materials studio glasses and made a nanoparticle but that
> one is not working also. Because i tried to minimize it and job failed. Any
> help would be greatly appreciated.
>
> Thanks,
> Kazem Sepehrinia.
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