Re: [gmx-users] PCA eigenvalue normalization

2006-04-06 Thread paloureiro
Have you checked if your peptide is "jumping" out of the box? Regards. Pedro Hello, I have performed PCA analysis, without mass weighting, on a peptide using g_covar and g_anaeig. The first principal component generally corresponds to the stretching of the peptide. I understand that ea

Re: [gmx-users] PCA eigenvalue normalization

2006-04-06 Thread Tsjerk Wassenaar
Hi Tyler,Note that the eigenvalue represents the sum of the variances for each particle along the associated eigenvector. That seems quite reasonable to me.TsjerkOn 4/6/06, Tyler Luchko <[EMAIL PROTECTED]> wrote: Hello,I have performed PCA analysis, without mass weighting, on a peptideusing g_cova

[gmx-users] PCA eigenvalue normalization

2006-04-05 Thread Tyler Luchko
Hello, I have performed PCA analysis, without mass weighting, on a peptide using g_covar and g_anaeig. The first principal component generally corresponds to the stretching of the peptide. I understand that each eigenvalue represents the variance in the motion along the associated eigen