[gmx-users] getting started-protein folding

dota doty_alexiou at hotmail.com
Thu Jan 22 16:19:00 CET 2009

Hi.I have recently installed Gromacs-3.3.3. & I want to study protein folding on a small protein.Where should I get more information about protein folding in Gromacs, what has been done up until now & how was it done(except the manual)? I tried but I didn't find a lot.What kind of force field it is used? I found that implicit models are not suggested for Gromacs. What about coarse-grained models? Can I use such models in Gromacs?Or an all-atom model should be used?I found smth about the MARTINI model in studies of more complex protein-lipids models. But what about trying to fold a single peptide on a reasonable time-scale? I am trying to find a way to get started..Any advice would be apreciated.Thanks!
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