[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20101201/b75a687b/attachment.html>
More information about the gromacs.org_gmx-users
mailing list