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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--
========================================
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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