[gmx-users] g_rmsf

[Justin A. Lemkul]

sudheer babu wrote:
> Hi,
>     I would like to calculate B-factor of protein, so I performed 
> command like this
> g_rmsf  -f  .xtc  -s  .tpr   -res  -o  fluctuate.xvg -od devi.xvg it has 
> run without error.Now i am bit doubting that which .xvg file  have to 
> take for plot B-factor values?

I think you have not specified the correct options.  Check g_rmsf -h and read 
about the -oq option.

-Justin

> B-factor is nothing but thermal devation of atoms. I think, I should 
> take dev.xvg for plotting B-factor values, if it is coorect, then what' 
> s the need for  producing  fluctuate.xvg? may be this is trivial question.
> Could anyone help me pls.
> Thanks alot in advance
> 
> 
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-- 
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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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