[gmx-users] Water flow over carbon nanotube

[shsubram]

Hello:

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.

regards
shankar 



--
View this message in context: http://gromacs.5086.n6.nabble.com/Water-flow-over-carbon-nanotube-tp5003008.html
Sent from the GROMACS Users Forum mailing list archive at Nabble.com.