Dear Justin:<br><br>I really appreciate your response and help!<br><br>I am confusing about the result by using this method. I found in B. Hess's paper (Appendix, JCP, 116, 2002) that " this gives a standard error estimate for 1/eta of 29.5. "; and the error he gives for that eta is 0.006. I thought the error should be calculated as 1/29.5=0.034. Thank you again for your help!<br>
<br><div class="gmail_quote">On Fri, Nov 20, 2009 at 12:35 PM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="im"><br>
<br>
Yanmei Song wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Dear Users:<br>
<br>
Anyone knows how to get the standard errors of the results based on block averaging from non-equilibrium MD simulations? I am trying to get the error estimations for my calculated viscosity of the fluid. Any command can give me that? or I have to do it manually? Thank you in advance!<br>
</blockquote>
<br></div>
>From g_analyze -h:<br>
<br>
"Option -ee produces error estimates using block averaging. A set is divided<br>
in a number of blocks and averages are calculated for each block. The error<br>
for the total average is calculated from the variance between averages of the<br>
m blocks B_i as follows..."<br>
<br>
-Justin<div class="im"><br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<br>
-- <br>
Yanmei Song<br>
Ph.D. Candidate<br>
Department of Chemical Engineering<br>
Arizona State University<br>
<br>
</blockquote>
<br></div>
-- <br>
========================================<br>
<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | (540) 231-9080<br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin</a><br>
<br>
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</font></blockquote></div><br><br clear="all"><br>-- <br>Yanmei Song<br>Ph.D. Candidate<br>Department of Chemical Engineering<br>Arizona State University<br>