[gmx-users] Re: Projecting on Eigen vector

[raja]

Hi Mr.Vojtech,
   Thanks for your reply and you made very important caution to me.
   Really good insight !
Hope to hear more from you.

With thanks!
B.Nataraj 
 
On Wed, 05 Apr 2006 09:43:09 +0200, "Vojtěch Spiwok"
<Vojtech.Spiwok at vscht.cz> said:
> > Hi gmxions,
> >         I have found out the eigen vectors computed of from a protein&#8217;s
> >         simulation. Now I want to project
> > coordinates of entire simulation on to eigen vectors to see the
> > collective , anharmonic motion of that protein.
> > And doing so for wild and mutant protein, I expect to trace the reason
> > for catalytic efficiency of the proteins in question between its wild
> > and mutant form. Am I Techniquely sound right here? Otherwise eigen
> > vectors compuations is for any other different purpose ? 
> > 
> > 
> > With thanks !
> > B.Nataraj
> > 
> Dear Raja
> 
> First, there might be some problems as the topology
> of the mutant is different. I also sugest to look
> at projection of mutants' dynamics on WTs' eigenvectors
> as well as WTs' dynamics on mutants' eigenvectors.
> 
> Vojtech
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  raja
  raja_28 at fastmail.us

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