[gmx-users] Area per atom
pawan raghav
pwnrghv at gmail.com
Sat Nov 13 13:44:10 CET 2010
Dear All
Using g_sas on trajectory file with command
g_sas -f .xtc -s .tpr -oa atomarea.xvg
gives following output
@ title "Area per atom"
@ xaxis label "Atom #"
@ yaxis label "Area (nm\S2\N)"
@TYPE xy
1 0.139885 0.0351154
2 0.0510893 0.0236223
3 0.0510077 0.0234374
4 0.0512037 0.0234554
5 0.0284763 0.0401088
6 0.236609 0.108979
The first column is atom no. and what are the values in second column.
I have found this question reply i.e.
Ans: Average area per atom, then some sort of fluctuation term.
So please tell me, what is the meaning of some sort of fluctuation term as
shown in red colour in graph?
--
Pawan
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