SimTK: Ensemble Validation Tools: Downloads

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Downloads

This download includes three components: ce_runfiles.tgz: the actual code, including example syntax ce_exampleinput.tgz: input data for example ce_exampleoutput.tgz: output for the examples
Downloads instructions and details

checkensemble

Version 0.9

0.9

Nov 03, 2012

First download version of checkensembleNotes View License

Download Package

Download Links

ce_runfiles.tgz

Aug 13, 2013

30 KB

Any

Source code

Run files

ce_exampleinput.tgz

Nov 03, 2012

68 MB

Any

Data/images/video

Sample input for checkensemble examples

ce_exampleoutput.tgz

Nov 03, 2012

295 KB

Any

Data/images/video

Example output from running the examples.

PLEASE CITE THESE PAPERS

Shirts, M. R., Simple Quantitative Tests to Validate Sampling from Thermodynamic Ensembles, J. Chem. Theory Comput., 2013, 9 (2), pp 909-926 (2013) View

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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