VMD-L Mailing List

From: Parminder Mankoo (pmankoo1_at_jhu.edu)
Date: Sat Jun 30 2007 - 19:09:18 CDT

Dear VMD Users,

I am trying to write "RMSF" from 1500ps trajectory for 900 residues.
I use following 4 line script to do it. However, the output is not
what I expected. I want to get RMSF of each residue to print on a
separate line so I could plot it easily. Does anyone has a working
script of rmsf for to try or suggest any changes to following script?

thanks, parminder

set outfile [open rmsf.dat w]
set sel [atomselect top "name CA"]
puts $outfile "[measure rmsf $sel first 1 last 1500 step 1]"
close $outfile