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Global free-energy landscapes as a smoothly joined collection of local maps...
- b2find.dkrz.de
Updated Nov 3, 2023+ more versions
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EmailClick to copy linkLink copiedCite(2023). Global free-energy landscapes as a smoothly joined collection of local maps - Dataset - B2FIND [Dataset]. https://b2find.dkrz.de/dataset/44ef8b92-1da7-59cc-b906-49ac03ff23c2Dataset updatedNov 3, 2023LicenseAttribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
License information was derived automaticallyDescriptionThis 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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FacebookTwitterEmailAttribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
License information was derived automatically
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