[gmx-users] Nitrogen Flow over cylinder

[David van der Spoel]

Andy Shelley wrote:
> I am trying to simulate the flow of nitrogen over a cylinder and would 
> like to use gromacs.  Most of the simulations seem to be done in water, 
> but I was wondering how to go about creating the simulation in Nitrogen. 
> I can create the cylinder. After that I want to try to create a shear 
> flow by assigning a linear velocity profile to the Nitrogen. I realize 
> this will probably have to be done in NEMD. Any thoughts or ideas would 
> be appreciated.
> 
We don't have velocity profiles, just accelerations. It wouldn't be so 
hard to add.


> Andy Shelley
> 
> 
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-- 
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se