[gmx-users] problems about number of frames in the edr file

Zhuyi Xue zhuyi.xue at utoronto.ca
Wed Jul 20 19:04:38 CEST 2011

Hi, there,

I have a edr file that looks containing about 2000 frames based on its 
size as well as the result from gmxcheck:

frame: 75151040 (index      0), t: 150302.094
Reading energy frame      2 time 150320.000
Timesteps at t=150310 don't match (7.90625, 10)
Reading energy frame   2000 time 170300.016
Timesteps at t=172690 don't match (10, 5.64062)
Last energy frame read 2240 time 172695.656

Found 2241 frames.

But when I use g_energy to get the temperature of each frame in this edr 
file, only 4 frames could be extracted, the last 10 lines of the result 
xvg file is as following:

@ legend on
@ legend box on
@ legend loctype view
@ legend 0.78, 0.8
@ legend length 2
@ s0 legend "Temperature"
   150302.093750  301.350067
   150310.000000  299.902710
   150320.000000  303.125641
   150330.000000  300.704010

I have tried eneconv to fix it, but no luck. How to could fix it and get 
the values for all frames?
Another question is what does it mean that the timesteps at t=... don't 
match? Will it affect the result of eneconv when connecting multiple edr 

Thank you

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