[gmx-users] Silica Nanoparticles

Suzen, Mehmet msuzen at gmail.com
Tue Apr 22 23:07:39 CEST 2014


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.
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.


More information about the gromacs.org_gmx-users mailing list