[gmx-users] Reg: Standard error

vinothkumar mohanakrishnan kmvinoth at gmail.com
Wed Dec 1 09:59:44 CET 2010


Hi Gromacians

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.

Statistics over 500001 steps [ 0.0000 thru 1000.0001 ps ], 1 data sets
All averages are exact over 500001 steps

Energy                      Average       RMSD     Fluct.      Drift
Tot-Drift
-------------------------------------------------------------------------------
#Surf*SurfTen               692.904    4579.46    4579.16  -0.181601
-181.602

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.

Regards
Vinoth
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