[gmx-users] Re: Water flow over carbon nanotube
shsubram at gmail.com
Fri Nov 16 00:03:02 CET 2012
Thank you very much for your advise.
I will follow up the link you suggested.
75 Hockanum Blvd., # 936
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On Thu, Nov 15, 2012 at 5:18 PM, Dr. Vitaly Chaban <vvchaban at gmail.com>wrote:
> > I would like to simulate water flow over a single carbon nanotube.
> > The water temperature and flow speed needs to be varied independently
> for a
> > parametric study.
> > I presume this is a non-equilibrium MD simulation.
> > I am new to Molecular Dynamic Simulations. Can I use GROMACS for this
> > problem ?
> > I would appreciate suggestions from the user community.
> Yes, you can use gromacs for this investigation. You will find the
> following MDP-keywords useful:
> Dr. Vitaly V. Chaban
> MEMPHYS - Center for Biomembrane Physics
> Department of Physics, Chemistry and Pharmacy
> University of Southern Denmark
> Campusvej 55, 5230 Odense M, Denmark
> gmx-users mailing list gmx-users at gromacs.org
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