This repository provide a automated method for Umbrella Sampling simulations to calculate binding energy between receptor and ligand.
-
Updated
Jan 9, 2020 - Shell
This repository provide a automated method for Umbrella Sampling simulations to calculate binding energy between receptor and ligand.
Add a description, image, and links to the umbrella-sampling topic page so that developers can more easily learn about it.
To associate your repository with the umbrella-sampling topic, visit your repo's landing page and select "manage topics."