[gmx-users] RE: Essential dynamics - concepts (Kavyashree M)

Kavyashree M hmkvsri at gmail.com
Tue Jun 7 08:07:51 CEST 2011


Dear Sir,

Ok Sir thanks.

Thanking you
With Regards
M. Kavyashree

On Tue, Jun 7, 2011 at 10:47 AM, Ran Friedman <ran.friedman at lnu.se> wrote:

> From: Tsjerk Wassenaar <tsjerkw at gmail.com>
> Subject: Re: [gmx-users] Essential dynamics - concepts
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <BANLkTim7wkRbvJZiJJbuHg=mKp5dgFutvg at mail.gmail.com>
> Content-Type: text/plain; charset=ISO-8859-1
>
> Hi Kavya,
>
> > Its g_covar contributed by Dr. Rossen apostolov if I am right.? Here it
> > states that those which are having correlation coefficient better than
> 0.5
> > will be reported, so covariance gives those which have correlation
> > coefficient
> > less than 0.5?
>
> I don't know the modified version. But I presume that the components
> with eigenvalues higher than 0.5 are written out, which is not quite
> the same as having a correlation coefficient of 0.5.
>
> > It's the correlation coefficient indeed. the version is available from
> the Gromacs user contributions site.
> > Ran
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