[gmx-users] g_energy=> Different Average values?

[Chih-Ying Lin]

Hi
After the command,
g_energy  -f abc.edr -o abc.xvg

the average values is printed out on the screen.
 Energy
Average RMSD Fluct. Drift Tot-Drift  Potential
-267323 375.096 374.647 -0.12711 -63.5543  Kinetic En. 51901.5 259.034
259.015 -0.02151 -10.7574  Total Energy -215421 275.52 274.683 -0.14862
-74.3106  Temperature 302.825 1.51136 1.51125 -0.00013 -0.06277  Pressure
(bar) 0.963727 133.498 133.335 0.045602 22.8012  Volume
221.643 0.362625 0.362424 8.36E-05 0.041823  Density (SI) 990.272 1.62111
1.6202 -0.00038 -0.18852


but the average values are different than calculation from the instantaneous
data in the  abc.xvg

I sum up all the instantaneous data in the abc.xvg and average them.
I got different average data as those shown up on the screen after g_energy
command.


What's wrong here?

Thank you
Lin
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