AMBER Archive (2006)Subject: Re: AMBER: Cosine content calculation
From: David A. Case (case_at_scripps.edu)
Date: Thu Mar 09 2006  10:33:53 CST
On Thu, Mar 09, 2006, matteo filandri wrote:
> Excuse me but in the paper cited, and in the Hess formula (Hess B, Physical
> Review E vol 62, n°6,pp8438), lambda is not the wavelenght but the
> eigenvalue (nm^2).
> In a few words, I need the eigenvalue expressed as in the NO massweighted
> matrix (nm^2)
>
> >> I have tried to apply this eq. from Andricioaei I. J.Chem.Physics
> >> 2001,115,6289 :
> >>
> >> omega(i)=SQRT[ kT/lambda(i) ]
> >>
In the Andricioeai/Karplus paper, "lambda" has units of mass*length**2, as you
can see from the equation above. The symbols and units in the other paper may
be different  I'm not familiar with it.
....dac

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