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On 1/02/2012 1:05 AM, dina dusti wrote:
<blockquote
cite="mid:1328018724.26927.YahooMailNeo@web121306.mail.ne1.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff; font-family:times
new roman, new york, times, serif;font-size:12pt">
<div>Dear Gromacs specialists,</div>
<div><br>
</div>
<div>Can you help me about g_dist?</div>
<div>I have a micelle system, I want to obtain distance between
center of mass of micelle with the last of carbon bounded to
head group in surfactant. <br>
</div>
<div>It should be near 2.2 but when I did "g_dist -f md.xtc -s
md.tpr -b 150000 -o dist.xvg" and then selected micelle and
the last carbon bounded to head group, respectively , and
next did "g_analyze -f dist.xvg -av" it give me : </div>
<div> std. dev. relative
deviation of<br>
standard --------- cumulants
from those of<br>
set average deviation sqrt(n-1) a Gaussian
distribition<br>
cum. 3
cum. 4<br>
SS1 5.324286e-02 2.182349e-02 3.984406e-04
0.287 0.064<br>
SS2 -2.000683e-04 3.327947e-02 6.075972e-04 0.045
-0.036<br>
SS3 -6.405102e-04 3.270624e-02 5.971315e-04 0.001
-0.052<br>
SS4 -2.777796e-04 3.366480e-02 6.146323e-04 0.016
-0.013<br>
</div>
<div><br>
</div>
<div>What should I do for obtain correct distance? <br>
</div>
<br>
</div>
</blockquote>
<br>
You've analyzed a data set with four distributions, but you'll have
to go back to the column labels of dist.xvg to work out how to
interpret the statistics of each distribution. It looks to me like
your index groups are not the ones you thought they were.<br>
<br>
Mark<br>
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