[gmx-users] RMSF reference state?

Pan Wu pan.wu at duke.edu
Tue Oct 13 23:47:12 CEST 2009

Hi everyone,    Thank you for answering my former questions, it really help
me, the new gmx-er a lot~
    Here is another question about reference state of RMSF.
    In the manual, it shows "g_rmsf computes the root mean square
fluctuation (RMSF, i.e. standard deviation) of atomic positions
after (optionally) fitting to a reference frame". So in this way, can I
choose the reference frame from *.tpr file or the coordinate average over
the whole trajectory? If Gromacs can, how?
    Thank you  in advance!

Pan Wu
Graduate Student in Department of Chemistry
Duke University
124 Science Drive
5301 French Family Science Center
Durham, NC 27708
Phone: (919) 660-1583
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