[gmx-users] Re: implicit solvent and REMD

[David van der Spoel]

On Fri, 2004-04-23 at 17:53, Anton Feenstra wrote:
> Xavier Periole wrote:
> 
> > Wei Fu wrote:
> > 
> >> Hi, I want to observe the unfolded state of a protein with 370 residues,
> >>
> > unfolded stateSSSSSSS !!! For sure a 370 residues protein must have a lot of
> > unfolded states. I think that this information is unaccessible at the time except
> > if you have thousands of processors available for a long time.
> 
> For given unfolding conditions (e.g., high T, high P, high Urea), there
> is *one* unfolded state. (By definition!)
Just to be somewhat pedantic...

	Says who?

Don't you always have an equilibrium of conformations, i.e. some are
folded some are not?


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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