[gmx-users] Inaccurate time frame

Hsin-Lin Chiang jiangsl at phys.sinica.edu.tw
Tue Dec 7 04:16:53 CET 2010


  Hi,

My time unit is 1ps and today I have 300ns data generated by parallel 
simulation.
I use trjconv -split 1000 on my trajectory but get the truncated end at 
t= 5000.00000
Theoretically it should stop at t= 1000.000
I found that I don't have t= 1000.00000 frame but have t= 1000.00006, 
2000.00012, 3000.00024, and t= 4000.00024.

I know I can add -timestep 1 to solve this problem and let file can be 
truncated at t= 1000.00006.

How does this kind of inaccurate time frames happen?
Is this trajectory a wrong result?

Sincerely yours,
Hsin-Lin




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