Hi Andrea, You're welcome. I forgot to mention that my MD tutorial also has a part dedicated to PCA:
http://nmr.chem.uu.nl/~tsjerk/course/molmod/analysis.html Maybe you'll find it useful. Cheers, Tsjerk On Fri, Mar 13, 2009 at 4:44 PM, andrea carotti <and...@chimfarm.unipg.it> wrote: > Dear Dr. Wassenaar, > many thanks for your kind reply. > Andrea > > > -- > ¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯¯ > Andrea Carotti > Dipartimento di Chimica e Tecnologia del Farmaco > Università di Perugia > Via del Liceo, 1 > 06123 Perugia, Italy > phone: +39 075 585 5169 > fax: +39 075 585 5161 > www http://rpg.unipg.it > personal www http://iris.chimfarm.unipg.it/users/andcar > > _______________________________________________ > gmx-users mailing list gmx-us...@gromacs.org > http://www.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://www.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