[gmx-users] the eigenvalue in the principle component analysis

Tsjerk Wassenaar tsjerkw at gmail.com
Sun Nov 24 20:49:53 CET 2013


Hey :)

No. There is no rule stating that this is important and that is not. It's
up to you to decide, based on what you know of your system. Reading some
background about PCA may be a good idea.

Cheers,

Tsjerk


On Sun, Nov 24, 2013 at 3:07 PM, xiao <helitrope at 126.com> wrote:

> Hi Gromacs users,
>
> I did the principle component analysis (PCA) on a MD trajectory, and i got
> a lot of  eigenvalues which range from 25 to 0, but i do not know which one
> is important. It is said that the larger the eigenvalue, the imporant it
> is, but i have no idea when it is safe to ignore an eigenvalue, i mean, is
> there a value cutoff which can tell us the important eigenvalues and
> unimporant eigenvalues.
>
> Best wishes
>
> Fugui
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-- 
Tsjerk A. Wassenaar, Ph.D.


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