Hey Fatemeh, Maybe the section on PCA at http://nmr.chem.uu.nl/~tsjerk/course/molmod/analysis1.html is of any use...
Cheers, Tsjerk On Mon, Aug 8, 2011 at 2:27 PM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > As I said in my previous message, please post all Gromacs-related > correspondence to the gmx-users list. I am not a private tutor. I am > CC'ing this message to the list and ask that all further discussion be > posted there. > > ED (or PCA) is a post-processing analysis procedure. There are details in > the Gromacs manual and on the Gromacs site: > > http://www.gromacs.org/Documentation/Terminology/Principal_Components_Analysis > > -Justin > > fatemeh yadegari wrote: >> >> hi >> I need essential dynamic analysis . do I have to added an option this >> command for essential dynamic analysis >> mdrun -s x.tpr -o x.trr -x x.xtc -c x.gro -g x.log -e x.edr >> thanks a lot > > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > 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 Molecular Dynamics Group * Groningen Institute for Biomolecular Research and Biotechnology * Zernike Institute for Advanced Materials University of Groningen The Netherlands -- 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
