[gmx-users] g_covar

Tsjerk Wassenaar tsjerkw at gmail.com
Mon May 19 12:28:58 CEST 2014

Hey :)

Depends on what you're doing exactly and why. If you're only using C's, it
doesn't matter. Likewise, for C/N/O the differences are not that large. On
top of that, if you use PCA as a geometrical analysis (not interested in
eigenfrequencies), then it also doesn't matter a great deal.

Hope it helps,


On Mon, May 19, 2014 at 11:02 AM, elham tazikeh <elham.tazikeh at gmail.com>wrote:

> Dear users
> in my anslysis ,i did g_covar and encountered to this note:
> (the fit and anslysis group are identical while the fit is mass weighted
> and the analysis is not making the fit non
> mass weighted)
> is this important note or not?
> thanks for your reply
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Tsjerk A. Wassenaar, Ph.D.

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