[gmx-users] ED analysis

[Berk Hess]

>From: Ruben M Buey <ruben at akilonia.cib.csic.es>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] ED analysis
>Date: Tue, 07 Sep 2004 14:52:38 +0200
>
>Hi all,
>If I have calculated them correctly (g_anaeig ... -proj proj1.xvg -first 1 
>-last 1, and so on for eigenv 2,3,4 and 5; g_analyze -f proj1.xvg -cc and 
>so on...), the cosine contents are:
>eigenv 1:       0.849
>           2:       0.012
>           3:       0.0029
>           4:       7.96e-6
>           5:       0.00072

No.
You should do:
g_anaeig -proj
(default is -last 8)
and then:
g_anaeig -f proj -cc
You will certainly get higher numbers for vectors 2-5.

Berk.

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