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Dimer in WCA fluid example
Illustrative example for dimer in WCA fluid using pyopenmm.
1.0
Apr 16, 2011

Initial release for reviewers.  

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Apr 21, 2011
13 KB
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Source code
Scripts used to run simulations in paper.

Apr 21, 2011
902 MB
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Data/images/video
Data from simulations of dimer in WCA fluid.

Apr 21, 2011
4 MB
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Data/images/video
Output from simulation scripts (without datafiles).

PLEASE CITE THESE PAPERS

Nilmeier JP, Crooks GE, Minh DDL, and Chodera JD. Nonequilibrium candidate Monte Carlo: A new tool for efficient equilibrium simulation. Submitted. (2011)


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