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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Received on Mon Sep 13 2010 - 23:30:04 PDT
