Xi Zhao, If you know these steps are normal, how come you don't know how to go about? A projection on the plane spanned by two eigenvectors is the projection of your structure onto one of these eigenvectors plotted against the projection of your structure on the other. Each structure, and therefore each projection, is time indexed. You should get a table of:
Time Projection1 Projection2 from which it's trivial to get the time of a certain projection in the plane, and hence the conformation. _Alternatively_ it is possible from only the projections and the corresponding eigenvectors to reconstruct an unphysical structure, if that is what you want. How to do that is simple if you understand principal component analysis. If you don't know principal component analysis, you should first read up about that, until you understand what it is about... and then you will know how to get what you want (and what it means). Cheers, Tsjerk 2008/6/12 xi zhao <[EMAIL PROTECTED]>: > Dear sir: > For example, I only simulated a protein, further, > 1. using g_covar producing eigenvalue.xvg and eigenvec.trr for all Ca atoms > 2 using g_anaeig producing 2d projection.xvg > 3 how to obtain corresponding corformation in 2d projection using trjconv? > these steps are normal, can you give me some advise! ? > Thank you very much! > > Mark Abraham <[EMAIL PROTECTED]> 写道： > > xi zhao wrote: >> Dear sir : >> I also know these,but can you give some detail procedure for obtaining >> the corresponding conformations? Thank you in advance! > > No, because you've told us no detail of your procedure to generate your > eigensystem and to produce the (labeled) projected points. Once you've > got that, it's probably just a matter of applying trjconv thoughtfully. > > Mark > _______________________________________________ > gmx-users mailing list [email protected] > 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 [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > > > ________________________________ > 雅虎邮箱，您的终生邮箱！ > _______________________________________________ > gmx-users mailing list [email protected] > 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 [EMAIL PROTECTED] > 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
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