<pre><span style="FONT-SIZE: 12pt">Dear All</span></pre><pre><span style="FONT-SIZE: 12pt">Using g_sas on trajectory file with command</span></pre>
<p style="MARGIN: 0in 0in 0pt" class="MsoNormal"><tt><span style="mso-ansi-font-size: 12.0pt; mso-bidi-font-size: 12.0pt"><font size="3">g_sas -f .xtc -s .tpr -oa atomarea.xvg </font></span></tt></p><pre><span style="FONT-SIZE: 12pt">gives following output</span></pre>
<pre><span style="FONT-SIZE: 12pt">@<span style="mso-spacerun: yes"> </span>title "Area per atom"<span style="mso-spacerun: yes"> </span></span></pre><pre><span style="FONT-SIZE: 12pt">@<span style="mso-spacerun: yes"> </span>xaxis<span style="mso-spacerun: yes"> </span>label "Atom #"<span style="mso-spacerun: yes"> </span></span></pre>
<pre><span style="FONT-SIZE: 12pt">@<span style="mso-spacerun: yes"> </span>yaxis<span style="mso-spacerun: yes"> </span>label "Area (nm\S2\N)"</span></pre><pre><span style="FONT-SIZE: 12pt">@TYPE xy<span style="mso-spacerun: yes"> </span><span style="mso-spacerun: yes"> </span></span></pre>
<pre><span style="FONT-SIZE: 12pt">1 0.139885 0.0351154<span style="mso-spacerun: yes"> </span></span></pre><pre><span style="FONT-SIZE: 12pt">2 0.0510893 0.0236223<span style="mso-spacerun: yes"> </span></span></pre>
<pre><span style="FONT-SIZE: 12pt">3 0.0510077 0.0234374<span style="mso-spacerun: yes"> </span></span></pre><pre><span style="FONT-SIZE: 12pt">4 0.0512037 0.0234554<span style="mso-spacerun: yes"> </span></span></pre>
<pre><span style="FONT-SIZE: 12pt">5 0.0284763 0.0401088<span style="mso-spacerun: yes"> </span></span></pre><pre><span style="FONT-SIZE: 12pt">6 0.236609 0.108979<span style="mso-spacerun: yes"> </span></span></pre>
<div><tt><span style="mso-ansi-font-size: 12.0pt; mso-bidi-font-size: 12.0pt"><font size="3">The first column is atom no. and what are the values in second column. </font></span></tt></div>
<div><tt><span style="mso-ansi-font-size: 12.0pt; mso-bidi-font-size: 12.0pt"><font size="3"></font></span></tt> </div>
<div><tt><span style="mso-ansi-font-size: 12.0pt; mso-bidi-font-size: 12.0pt"><font size="3">I have found this question reply i.e. </font></span></tt></div>
<div><span style="FONT-SIZE: 12pt">Ans: Average area per atom, then some sort of fluctuation term.</span></div>
<div><span style="FONT-SIZE: 12pt"></span> </div>
<div><span style="FONT-SIZE: 12pt">So please tell me, what is the meaning of some sort of fluctuation term as shown in red colour in graph?</span></div>
<p style="MARGIN: 0in 0in 0pt" class="MsoNormal">-- <br>Pawan</p>