[gmx-users] protein folding

[Lutz Maibaum]

On Nov 22, 2010, at 3:09 AM, mohsen ramezanpour wrote:
> I am searching for a tutorial for  learning how to do protein folding with Gromacs.
> Do any one know such tutorials?

Not exactly a tutorial, but you can find Gromacs input files, as well as several hundreds of microseconds worth of MD trajectories of a fast-folding protein, on this website:

http://simtk.org/home/foldvillin

Together with the publication that goes with it, this might be a good start to read about protein folding simulations. It's not something you can easily reproduce on your desktop, though.

Hope this helps,

  Lutz