[gmx-users] define atoms

[Justin A. Lemkul]

shahrbanoo karbalaee wrote:
> Dear justin
> how do I know,what is the name of    atom 17 in rmsf table of  backbone group.?

It should be whatever the 17th atom in the analyzed group is.

-Justin

> # g_rmsf -f md.xtc -s md.tpr -o traj_rmsfbackbon.xvg -ox
> traj_avgazrmsfbackbon.pdb
> #
> # g_rmsf is part of G R O M A C S:
> #
> # God Rules Over Mankind, Animals, Cosmos and Such
> #
> @    title "RMS fluctuation"
> @    xaxis  label "Atom"
> @    yaxis  label "(nm)"
> @TYPE xy
>     1   0.0351
>     2   0.0228
>     3   0.0233
>     4   0.0220
>     5   0.0206
>     6   0.0187
>     7   0.0190
>     8   0.0206
>     9   0.0211
>    10   0.0184
>    11   0.0178
>    12   0.0210
>    13   0.0182
>    14   0.0186
>    15   0.0224
>    16   0.0249
>    17   0.0276
>    18   0.0235
>    19   0.0241
> ......................I delet by hand for low  space
> 
>    39   0.0283
>    40   0.0488
> 
> --best
> sh-karbalaee
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-- 
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Justin A. Lemkul
Graduate Research Assistant
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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