Re: [AMBER] unit of Bfactor

From: hirdesh kumar <hirdeshs8.gmail.com>
Date: Tue, 14 Sep 2010 11:43:01 +0530

Thanks Kshatresh,

2010/9/14 Kshatresh Dutta Dubey <kshatresh.gmail.com>

> Hi Hirdesh and Ashutosh,
>
> Unit of B -Factor is square of angstrom(i.e. angstrom square). We calculate
> B-Factor using formula Bi = 8/3(ð2Är2) where r has unit of length.
>
> Best of Luck
> kshatresh
>
> On Tue, Sep 14, 2010 at 11:22 AM, Ashutosh Shandilya
> <izerokelvin.gmail.com>wrote:
>
> > Hi to all
> > I used this script to calculate the Bfactor.The temprature factor
> variation
> > was quite large (20-400).I want to know what is the unit of Bfactor in
> this
> > case and the values I am getting is that right if the units is Angstrom.
> >
> > trajin complex_equi.mdcrd
> > center origin
> > reference complex_wat.crd
> > atomicfluct out bfac.dat byres @CA bfactor
> >
> >
> > Thanks
> > Shandilya Ashutosh
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-- 
Thanks and Regards,
Hirdesh,
******************************************
Hirdesh Kumar
PhD Scholar
School of Biological Sciences
Indian Institute of Technology, Delhi
Hauz Khaas, New Delhi-16
http://www.iitd.ac.in/bioschool.html
******************************************
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Received on Mon Sep 13 2010 - 23:30:05 PDT
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