dPCA

[Lilian Esmeralda Araujo Arcos]

Dear  Nicholas M, 

 I have calculates the dPCA for a 200ns trayectory using  carma −verbose −write −color −segid A −dPCA 5 3 310 my.dcd my.psf command. I end it up with multiple files on my working directory,  carma.clusters.dat carma.dPCA.eigenvalues.dat carma.dPCA.DG_01_02.dat carma.dPCA.eigenvectors.dat  carma.dPCA.DG_01_02.ps carma.dPCA.fluctuations.dat carma.dPCA.DG_01_03.dat my.dcd carma.dPCA.DG_01_03.ps my.dcd.dPCA.varcov.dat carma.dPCA.DG_02_03.dat my.dcd.dPCA.varcov.ps carma.dPCA.DG_02_03.ps my.psf. 

My problem is that I dont know what is the information contain in this files, I will like to have know how to interpert this valules. I need to know which eigenvectors that  captured 92-96% of the total motions of the proteins in which file can i find this information. Also, on the eigenvalue file i find 600 values what are this and how do i know to which of the PC this relate to. I am  very confuse, I hope you can give me some information about this calculatios. 

Thank you !!

[Nicholas Glykos]

Please see from the documentation (https://utopia.duth.gr/glykos/pdf/carma.pdf) pages 1 & 2.