[gmx-users] Decreasing MSD of ligand ?
chihying2008 at gmail.com
Tue Nov 17 20:08:06 CET 2009
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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