HI
MSD = mean square displacement
diffusion coefficient = d/dt (MSD)
I simulate the protein and ligand system and then calculate the MSD of the ligand.
Then, i drew the plot of the time evolution of the MSD.
But the the MSD decreases as time for some period.
I see nothing about my codings.
Would you please tell me about any possible errors i made?
Thank you
Lin
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Received on Tue Nov 17 2009 - 11:30:03 PST
