Yanmei Song wrote:
Dear Users:
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!
From g_analyze -h:
"Option -ee produces error estimates using block averaging. A set is divided
in a number of blocks and averages are calculated for each block. The error
for the total average is calculated from the variance between averages of the
m blocks B_i as follows..."
-Justin
--
Yanmei Song
Ph.D. Candidate
Department of Chemical Engineering
Arizona State University
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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