Dear Users,
I am trying to simulate a system of 216 TIP5P water molecules in
NPT simulation. I need to calculate diffusivity and Fs(k,t) from the
production run. I have used TAUP = 0.2 for the equilibration run. Can you
suggest me the the value of TAUP for the production run and recomended run
length with which i can get the correct results. Any kind of suggestions
will be highly appreciated.
Biman Jana
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Received on Wed Nov 28 2007 - 06:07:21 PST
