[gmx-users] First Principle Component Analysis

[Ran Friedman]

Hi,

For ED analysis you don't need to run make_edi. Check g_covar and later
g_anaeig.

Ran.

Anirban Ghosh wrote:
> Hi All,
> I want to do ED analysis along first principle component in GROMACS. I
> am trying to make the .edi file through make_edi command. But cannot
> understand which option to pick among -linfix. -linacc, -radfix,
> -radacc, -radcon. I also cannot understand how to specify the
> option(string) for this in the make_edi command. Please  tell me how
> to execute this command. Any suggestion is welcome.
>
> Regards,
>
>
>  
> *Anirban Ghosh*
> *M.Tech Bioinformatics*
> *University of Hyderabad*
> *Hyderabad - 500 046*
> *Andhra Pradesh*
> *India*
>
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-- 
------------------------------------------------------
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: r.friedman at bioc.unizh.ch
Skype: ran.friedman
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