[gmx-users] What can we do with gromacs?

mustafa bilsel mfbilsel at gmail.com
Fri Nov 12 01:13:24 CET 2010

I would like to ask questions about what we can do with Gromacs.
3. For example I have some different molecules and I would like to see their
binding affinity to carbon nanotubes. Is it possible to do this simulation
with Gromacs? If possible, I should have attractive and repulsive
potentials. Which potential(s) in Gromacs should I use for this purpose?
2. Is it possible to simulate folding mechanism of a protein in closed
geometry? closed geometry maybe in cylindrical or cubic shape.
3. Can we check if a protein adhesed or not a to a surface? surface consists
of atoms.

Best wishes
Mustafa Bilsel
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