Hi Tuba, You can concatenate the trajectories with trjcat and perform PCA on the resulting trajectory.
Cheers, Tsjerk On Thu, Oct 18, 2012 at 9:07 AM, Tuba Kilinc <tkil...@gmail.com> wrote: > 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 -- Tsjerk A. Wassenaar, Ph.D. post-doctoral researcher Biocomputing Group Department of Biological Sciences 2500 University Drive NW Calgary, AB T2N 1N4 Canada -- 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
