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Unformatted text preview: 3. Using demo2 as a guide, perform a NVE MD simulation of a model uid with a LJ 6-8 potential: u ( r ) = 10 [( /r ) 8-( /r ) 6 ] Estimate the compressibility factor and internal energy at T * = 1 . 5 and * = . 8, where standard LJ units are employed ( T * = k B T/ , * = 3 ). Perform an error analysis. 4. Using demo3 as a guide, perform an NVT MC simulation of the same LJ 6-8 uid as in problem 3 at the same temperature and density. Perform an error analysis and compare with your MD results....
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- Spring '09