Re: [gmx-users] Domain Motion => How do get the rotational axis from eigenvectors ?

2011-05-28 Thread XAvier Periole
otation as found by > DynDom" ? > > > Thank you > Lin > > > > > > > Message: 1 > Date: Thu, 26 May 2011 19:54:29 -0700 > From: Chih-Ying Lin > Subject: [gmx-users] Domain Motion => How do get the rotational axis >fromeigenvec

[gmx-users] Domain Motion => How do get the rotational axis from eigenvectors ?

2011-05-27 Thread Chih-Ying Lin
Message: 1 Date: Thu, 26 May 2011 19:54:29 -0700 From: Chih-Ying Lin Subject: [gmx-users] Domain Motion => How do get the rotational axis fromeigenvectors ? To: gmx-users@gromacs.org Message-ID: Content-Type: text/plain; charset="iso-8859-1" Hi I want to protein'

Re: [gmx-users] Domain Motion => How do get the rotational axis from eigenvectors ?

2011-05-26 Thread Tsjerk Wassenaar
Hi Lin, You don't get such axes directly from covariance analysis. If you want to know which rotations are associated with a certain eigenvector, you have to run a routine like dyndom (http://fizz.cmp.uea.ac.uk/dyndom/) on the extreme projections of your trajectory onto an eigenvector. Cheers, T

[gmx-users] Domain Motion => How do get the rotational axis from eigenvectors ?

2011-05-26 Thread Chih-Ying Lin
Hi I want to protein's domain motion. I use g_covarandg_anaeig to get the eigenvectors. How can i get the rotational axis of which protein do its domain motion from those eigenvectors? I found the papers and the authors plot its rotational axis of domain motion. How did they make it ?