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

[Ran Friedman]

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>
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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