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19981117: going on with the simulation of 19981113

Want to test if the behaviour of the MSD plot depends upon the total simulation time. For this purpose restart the calculation in section 5 and make another $20\;ps$ run. Then compare the MSD plots for the two runs (in particular check if the first $20\;ps$ are superimposable or not).

Nov 19 (Thu), 1998

WOW! The MSD plot actually depends upon the total simulation time, in the sense that it depends (OBVIOUSLY!) on the total number of configurations used to evaluate the MSD.

$\begin{center}\vbox{\input{19981117-01.pslatex} }\end{center}$

Have to carefully understand the meaning of the input to the msdblk program. In particular the interaction between nmsd isampl and iomsd (see DL_POLY manual).