Hello again, You can use g_covar to extract the eigenvector of your choice and then g_anaeig to extract only the motions along the desired eigenvector (use g_anaeig -extr or g_anaeig -filt).
make_edi creates an input file which you can use to run EDS or flooding in gromacs, but from what you describe you don't want that. I'd also recommend reading the papers of Berk Hess from 2000 IIRC regarding PCA of MD simulations. Analysing one eigenvector will not always be meaningful. Good luck, Ran. Anirban Ghosh wrote: > Hi All, > I actually want to do the analysis in a particular direction of motion > i.e. along first principle component, thats why i am trying to run the > make_edi command, to get the desired direction component. > Please suggest how to proceed to achieve this type of analysis. > > Regards, > > > > *Anirban Ghosh* > *M.Tech Bioinformatics* > *University of Hyderabad* > *Hyderabad - 500 046* > *Andhra Pradesh* > *India* > > ------------------------------------------------------------------------ > Try the revolutionary next-gen Yahoo! Mail. Click here. > <http://in.rd.yahoo.com/tagline_mail_10/*http://mrd.mail.yahoo.com/dc/landing> -- ------------------------------------------------------ Ran Friedman Postdoctoral Fellow Computational Structural Biology Group (A. Caflisch) Department of Biochemistry University of Zurich Winterthurerstrasse 190 CH-8057 Zurich, Switzerland Tel. +41-44-6355593 Email: [EMAIL PROTECTED] Skype: ran.friedman ------------------------------------------------------
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