SimTK: Nonequilibrium candidate Monte Carlo (NCMC): Downloads

Nonequilibrium candidate Monte Carlo (NCMC)

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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.

Download Package

Download Links

wca-dimer-scripts.tgz

Apr 21, 2011

13 KB

Any

Source code

Scripts used to run simulations in paper.

wca-dimer-data.tgz

Apr 21, 2011

902 MB

Any

Data/images/video

Data from simulations of dimer in WCA fluid.

wca-dimer-output.tgz

Apr 21, 2011

4 MB

Any

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)

SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

Version 4.2.2. Website design by Viewfarm. Icons created by SimTK team using art by GraphBerry from www.flaticon.com under a CC BY 3.0 license. Forked from FusionForge 6.0.5.

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