[gmx-users] inconsistency in xvg file
Dhrubajyoti Maji
dmaji43 at gmail.com
Tue Apr 30 08:10:43 CEST 2019
Dear GROMACS users,
I am using gromacs-2018.3. My system is molten
acetamide. Run time is 50 ns and sampling frequency is 20 fs. I have
calculated MSD from gmx msd command. The msd.xvg file initially contain
timestep of 0.02 ps but from 10000 ps it looks something like this:
9999.96 19.9453
9999.98 19.9458
10000 19.9464
10000 19.9469
10000 19.947
10000.1 19.947
10000.1 19.9467
10000.1 19.9464
10000.1 19.9461
10000.1 19.946
10000.2 19.9459
and so on upto 50000 ps. I can't understand why is this happening and
how it is affecting my result?
Can anyone help me?
Thanks and regards,
Dhrubajyoti Maji
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