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Datasets
Datasets from the paper.
publication-datasets
Jun 09, 2008

  

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Jun 09, 2008
996 KB
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Data/images/video
A small quantity of test data (from implicit solvent simulaton).

Jun 09, 2008
14 MB
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Data/images/video
Full parallel tempering dataset for alanine dipeptide in implicit solvent.

Jun 09, 2008
12 MB
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Data/images/video
Full parallel tempering dataset of alanine dipeptide in explicit solvent.

PLEASE CITE THESE PAPERS

Chodera JD, Swope WC, Pitera JW, Seok C, and Dill KA. Use of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations. JCTC 3(1):26, 2007. (2007) View


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wham-f95
Fortran 95 implementation of STWHAM/PTWHAM.
wham-f95 v1.0
Jun 09, 2008

  

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Jun 09, 2008
9 KB
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Source code
.tgz archive of Fortran 95 code for STWHAM/PTWHAM

PLEASE CITE THESE PAPERS

Chodera JD, Swope WC, Pitera JW, Seok C, and Dill KA. Use of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations. JCTC 3(1):26, 2007. (2007) View


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whamtools-java
Java-based implementation of STWHAM/PTWHAM and related tools.
whamtools-java v1.0
Jun 09, 2008

  

Download Links

Jun 09, 2008
56 KB
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Source code
.tgz archive of Java code for WHAM tools.

PLEASE CITE THESE PAPERS

Chodera JD, Swope WC, Pitera JW, Seok C, and Dill KA. Use of the weighted histogram analysis method for the analysis of simulated and parallel tempering simulations. JCTC 3(1):26, 2007. (2007) View


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