I am running "Principal Components Analysis (PCA)" for my protein at three different temperatures using "g_covar_mpi -s XXXXX.tpr -f XXXXXX.xtc".

The results I am getting are :

At 300 K:

(1) Trace of the covariance matrix: 14.966 (nm^2)

(2) Sum of the eigenvalues: 14.966 (nm^2)

At 350 K:

(1) Trace of the covariance matrix: 26.4201 (nm^2)

(2) Sum of the eigenvalues: 26.42 (nm^2)

At 375 K:

(1) Trace of the covariance matrix: 11.1512 (nm^2)

(2) Sum of the eigenvalues: 11.1512 (nm^2).

Can anyone explain this output? I need a proper answer. Does this mean that "At 375 K, Trace of the covariance matrix is lesser than other temperatures. So the protein is better and stable at this temperature??

Thanks

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