[gmx-users] fitting procedure in g_rmsf

[sridhar at cdfd.org.in]

Dear Mark,

I have used g_rmsf. It does not have separate options for fitting and RMSF
calculation. The program prompts only once for user input, and it takes
the same group for both fitting as well as RMSF calculation.
My requirement was, whether fitting and RMSF calculations could be done
using separate groups?

Thanks in advance.

sridhar


[gmx-users] fitting procedure in g_rmsf
Mark Abraham Mark.Abraham at anu.edu.au
 Sat Feb 3 01:59:07 CET 2007
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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?

Mark

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