hi all, i would like to apply PCA (principal component analysis) for my peptides that i simulated. i do know PCA for one trajectory but what if i have more than one peptide ? how can i apply pca for example 10 peptides in a box ?
typically, i start with a PCA on the simulation g_covar -s protein.pdb -f traj.xtc -v eigenvec.trr and i create projections on PCA vectors using g_anaeig. thanks -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
