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

Alexey Lyulin a.v.lyulin at tue.nl
Wed May 23 12:19:10 CEST 2012

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
----- 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?

Jim Rustad

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