Re: [AMBER] Problem related to the bfactor calculation

From: Aron Broom <broomsday.gmail.com>
Date: Tue, 26 Feb 2013 02:08:29 -0500

why is the second command not what you want?

On Tue, Feb 26, 2013 at 12:03 AM, Sindrila Dutta banik <
sindrila.duttabanik.yahoo.com> wrote:

> Dear all,
> I want to calculate the B-factor of all atoms of each residues.
>
> Now when I use:
>
> atomicfluct out bfactor-bb.dat .C,CA,N byres bfactor
>
>
> then it gives only the bfactor of backbone atoms of each residue and while
> I using the following command
>
> atomicfluct out bfactor-bb-16.dat :1-974 byatom bfactor
>
>
> it gives the bfactor of all atoms individually.
>
> What command should I use for this, Please let me know.
>
> With best regards
> sindrila
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>



-- 
Aron Broom M.Sc
PhD Student
Department of Chemistry
University of Waterloo
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Received on Mon Feb 25 2013 - 23:30:02 PST
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