Dear Mark<br><br>Thank you for your explaination but Its not clear to me what you are trying to say. can you explain it bit more clearly. what should i need to do to get the standard error? any help is highly appreciated.<br>
<br>Regards<br>Vinoth<br><br><div class="gmail_quote">On Wed, Dec 1, 2010 at 2:39 PM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
<div><div></div><div class="h5">On 1/12/2010 7:59 PM, vinothkumar mohanakrishnan wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">
Hi Gromacians<br>
<br>
I am planning to compute the standard error for the interfacial surface tension of water-dichloro ethane. i just want to know is my procedure right. below is the result what i get from my g_energy command.<br>
<br>
Statistics over 500001 steps [ 0.0000 thru 1000.0001 ps ], 1 data sets<br>
All averages are exact over 500001 steps<br>
<br>
Energy Average RMSD Fluct. Drift Tot-Drift<br>
-------------------------------------------------------------------------------<br>
#Surf*SurfTen 692.904 4579.46 4579.16 -0.181601 -181.602<br>
<br>
my question is to calculate the standard error should i need to divide the RMSD(4579.46) by the squareroot of 500001 steps? any help is highly appreciated.<br>
</blockquote>
<br></div></div>
Calculating the standard error of the mean in this way requires that the observations are independent (<a href="http://en.wikipedia.org/wiki/Standard_error_%28statistics%29" target="_blank">http://en.wikipedia.org/wiki/Standard_error_%28statistics%29</a>). Adjacent MD frames are not. You would need to know something about your correlation times to know how long you have to wait before effective independence.<br>
<br>
Mark<br><font color="#888888">
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