[gmx-users] g_anaeig
David van der Spoel
spoel at xray.bmc.uu.se
Fri Aug 6 16:22:49 CEST 2004
On Fri, 6 Aug 2004, barrett wrote:
>David
>
>Thanks.
>
>But 2D or 3D don't do what I want, as I understand them.
I realised that later, then you may have to do some programming...
>
>The output of a 2D run for an example 6 frame trajectory (timescrambled,
>as it happens)looks like:
>
>@ xaxis label "projection on eigenvector 1 (nm)"
>@ yaxis label "projection on eigenvector 2 (nm)"
>@TYPE xy
> 0.03304 0.19576
> 0.03397 0.17645
> 0.01622 -0.16512
> -0.05080 -0.01361
> -0.17756 0.04269
> -0.01923 -0.07211
>
>But I don't want to know the projection on the eigenvectors of my
>trajectory. I want a set of whole protein structures, in the manner
>created by
>
>g_anaeig ... -extr -nframes 40
>
>Thanks for the suggestion, but I don't think it's the answer.
>
>Paul
>
>-----Original Message-----
>From: gmx-users-bounces at gromacs.org
>[mailto:gmx-users-bounces at gromacs.org] On Behalf Of David van der Spoel
>Sent: 06 August 2004 14:04
>Cc: gmx-users at gromacs.org
>Subject: Re: [gmx-users] g_anaeig
>
>
>Have you tried the 2d and 3d proj options?
>
>--
>David.
>________________________________________________________________________
>David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
>Dept. of Cell and Molecular Biology, Uppsala University.
>Husargatan 3, Box 596, 75124 Uppsala, Sweden
>phone: 46 18 471 4205 fax: 46 18 511 755
>spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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