[gmx-users] Re: Gromacs files to simulate SiO2 film

[Alexey Lyulin]

hi Jim,
first of all, thanks for the answer.
No, for me it is not important. Our task is to simulate natural rubber 
between two silica surfaces, i.e, no water will be present.
Do you have some initial files?

thanks, alexey

*************************************************
Dr. Alexey V. Lyulin
Assistant Professor
Theory of Polymers and Soft Matter (TPS)
Eindhoven University of Technology
Postbus 513 5600 MB Eindhoven
The Netherlands
http://www.phys.tue.nl
*************************************************
----- Original Message ----- 
From: "jrustad" <rustadjr at corning.com>
To: <gmx-users at gromacs.org>
Sent: Wednesday, May 23, 2012 12:12 PM
Subject: [gmx-users] Re: Gromacs files to simulate SiO2 film


Dear Alexey,
The answer to this question partly depends on your application- for example,
is it important for the surface of the amorphous SiO2 to be able to undergo
reactions like Si-O-Si + H2O = 2SiOH?

Regards,
Jim Rustad

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