Hi Roman.
Let me guess... in theory the MSD should start non-linear and after some
time become linear until the end of simulation but the g_msd output
starts linear and after become anything.
I don´t know if I´m correct about your results but this was the results
I had when trying to calculate MSD for an ion. This happen due to poor
statistic of "long" times. For example, you have much more statistic
when you calculate <|r(10)-r(0)|^2> than when you calculate
<|r(100)-r(0)|^2>, so the results for times in the beggin of simulation
are supposed to be better than in the end of it.
Like Tsjerk said, attach an image of your output so we can try to help you.
Cheers
Alexandre Suman de Araujo
[EMAIL PROTECTED]
UIN: 6194055
IFSC - USP - São Carlos - Brasil
Roman Holomb wrote:
Dear all,
I have strange MSD graphs when I use g_msd for trajectory
analysis...... It not look like (<|r(t)-r(0)|^2>)....
The simulation time was 5ns. Have someone problems with using g_msd?
Thanks.
/Roman
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