Hi Fabricio, With total RMSF, do you mean over all atoms or total per atom? The former is simply the eigenvalue divided by the sum of all eigenvalues. For the latter, check g_anaeig.
Cheers, Tsjerk On Fri, Jul 10, 2009 at 7:01 PM, Ragnarok sdf<fabrac...@gmail.com> wrote: > Once I have the eigenvalue.xvg, how do I calculate the fraction of > total RMSF that each eigenvector contributes, i.e., how do I find out > that, for example, my first eigenvector is responsible for 73% of my > total rmsf and so on. > Thank you in advance > Fabrício Bracht > _______________________________________________ > gmx-users mailing list gmx-us...@gromacs.org > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php > -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ 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/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/mailing_lists/users.php
