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MMTSB/CTBP Summer Workshop<br />
Solvent dynamics<br />
water self diffusion<br />
The diiffusion coefficient D can be computed using<br />
the Einstein relation:<br />
lim MSD(<br />
t)<br />
=<br />
t"<br />
!<br />
6Dt<br />
MSD is the mean square displacement <br />
of a molecule in time t.<br />
D is obtained from the slope of MSD vs t at ”long”<br />
time.<br />
© Lennart Nilsson , 2006.
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