> Date: Wed, 10 Jun 2009 12:16:16 +1000
> From: mark.abra...@anu.edu.au
> To: gmx-users@gromacs.org
> Subject: Re: [gmx-users] units of eigenvalues of mass-weighted covariance
> matrix
>
> Wang Qin wrote:
> > Dear all,
> > I am confused on the units of the eigenvalues calculated from
> > g_covar of mass-weighted covariance matrix. From the output, it says the
> > unit is "(nm\S2\N)" but from my understanding, it is supposed to be kg/m2.
>
> Various of the GROMACS analysis tools don't write the correct units in
> .xvg output. This looks like such a case. There's a section early in the
> manual that describes the GROMACS unit conventions, from which you
> should be able to deduce what the units are.
>
> Mark
g_covar does write the correct units.
If your analysis would be mass weighted, it would have written (u nm\S2\N).
Apparently your output file is from a non mass-weighted analysis.
Note that by default the analysis is non mass weighted.
Berk
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