Dear Gmx users, I've been using Gromacs to perform Principal Component Analysis on my trajectories.
1- With gmx anaeig, we can plot a 2d projection of a trajectory on eigenvectors 1 and 2 (for example). I would like to know if there is a way to obtain the same plot but where the points are color-coded according to MD time? 2-I also would like to know how the diagonalization of the covariance-matrix with gmx covar is done: Is it by Eigenvalue decomposition (EVD) or Singular value decomposition (SVD)? I couldn't find the information on the manual... Thank you in advance for your help. Zeineb -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
