---------- Forwarded message ---------- From: sunita gupta <[EMAIL PROTECTED]> Date: Fri, Aug 1, 2008 at 1:12 PM Subject: plotting the displacement of each C-alpha along first eigenvector having largest eigenvalue To: [EMAIL PROTECTED]
Hello I have done 15 ns MD to study the effect of point mutation, comparing it with wild one for this I want to calculate the displacement caused by all alpha carbons from their initial position till last step...In one of the article entitled "Effect on DNA relaxation of the single Thr718Ala mutation in human topoisomerase I: a functional and molecular dynamics study" they have calculated the displacement caused of alpha carbon along eigenvector using largest eigenvalue..and on the basis it is concluded which regions are displacing more....I have done covariance analysis using g_covar.....but do not know how to go for displacement calculation..... Waiting for your kind reply Thanks -- SUNITA GUPTA Member Research Team Lead Invent Technology TBIU, IIT Delhi, India Email- [EMAIL PROTECTED] Ph- +9111 26581524 (Ex-6) -- 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
