[gmx-users] Water flow over carbon nanotube

shsubram shsubram at gmail.com
Thu Nov 15 21:10:02 CET 2012


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.


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