[gmx-users] fitting procedure in g_rmsf

Mark Abraham Mark.Abraham at anu.edu.au
Sat Feb 3 01:59:07 CET 2007

sridhar at cdfd.org.in wrote:
> Hello,
> I have a rather basic query.
> I want to know which atoms of the reference structure will be used for
> fitting , in g_rmsf program.
> In the program g_rms there are separate options for fitting and
> calcualation of rmsd. I wonder if it is possible for the user to select a
> set of atoms for fitting and calculate the rmsf over another range of
> atoms or the whole protein, similar as in g_rms program.

Probably. In fact, I'd be amazed if the same functionality were not 
present in g_rmsf as in g_rms, not that I've used the former. Have you 
tried it out to see?


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