[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?

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