[gmx-users] g_rmsf

sudheer babu sudheer.pbm07 at gmail.com
Mon Jul 28 12:36:45 CEST 2008


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?
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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