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Evelyne Deplazes
Umbrella-Integration
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73bd3ed9
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73bd3ed9
authored
Oct 24, 2016
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Evelyne Deplazes
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@@ -342,7 +342,9 @@ data set is used to calculate the PMF.
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@@ -342,7 +342,9 @@ data set is used to calculate the PMF.
The code for the convergence analysis can be run as a stand-alone program for
The code for the convergence analysis can be run as a stand-alone program for
any data file with x,y values
any data file with x,y values
```
python runAnalysis.py -d <path to file> -g
python runAnalysis.py -d <path to file> -g
```
the -g options illustrates the results with some graphs (somewhat cryptically
the -g options illustrates the results with some graphs (somewhat cryptically
perhaps).
perhaps).
...
...
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