Publication date: May 08, 2021
This repository contains the scripts that were used to run the calculations that present a new biasing technique, the Adaptive Topography of Landscape for Accelerated Sampling (ATLAS). The techinque is implemented in plumed-2.0 and the input file are included in the repository, as well as a few scripts to postprocess the calculations and reproduce the plots presented in the paper
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|232.6 MiB||zip files containing the inputs for plumed-2.0 to reproduce ATLAS calculation|