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!
-- Sincerely ================================= 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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