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1. EMDA EMDA Public

   Python package for easy analysis of MD simulations based on MDAnalysis.

   Jupyter Notebook 3

2. AMBER_parameters AMBER_parameters Public

   Repository for placing parameters and charges files (frcmod and mol2) of substrates used in our lab. All available files are distributed into folders depending on if they correspond to an enzyme, s…

   DIGITAL Command Language

3. protocols protocols Public

   Shell

4. common_errors_in_calculations common_errors_in_calculations Public

   Repo to store common errors that can be found when performing calculations. Its aim is to store both errors and their solution if any.

5. scripts scripts Public

   Collection of useful scripts for the kind of calculations performed in the group

   Python