diff --git a/README.md b/README.md index f41c661..cfd72af 100644 --- a/README.md +++ b/README.md @@ -15,6 +15,9 @@ For more details about the algorithm, see Self-Learning Adaptive Umbrella Sampling Method for the Determination of Free Energy Landscapes in Multiple Dimensions (Wojtas-Niziurski, Meng, Roux, Bernèche, 2013) [(https://doi.org/10.1021/ct300978b)](https://doi.org/10.1021/ct300978b) + +![Example](https://raw.githubusercontent.com/danijoo/adaptiveumbrella/master/examples/example.gif) + ## Usage Implement the UmbrellaRunner class according to your needs: @@ -76,5 +79,3 @@ runner.max_iterations = 100 runner.run() ``` -![Example](https://raw.githubusercontent.com/danijoo/adaptiveumbrella/master/examples/example.gif) -