Re: Protein unfolding and Coarse grained

From: Aron Broom (
Date: Fri May 17 2013 - 07:44:38 CDT

yeah, at least with the martini forcefield this is not possible.

Have a look at this though if you are keen on attempting it:

On Fri, May 17, 2013 at 7:55 AM, Fugui <> wrote:

> Dear NAMD users,
> Can we study protein unfolding process using coarse grained method?
> Because it seems that the secondary structure of the protein does not
> change during the coarse grained simulation, so it seems that coarsed
> grained MD is not suitable for protein unfolding simulation.
> Best wishes
> Fugui

Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo

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