BioExcel Building Blocks tutorials: Protein MD Setup (Amber Version)

This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (biobb) wrapping the AmberTools utility from the AMBER package. The particular example used is the Lysozyme protein (PDB code 1AKI).

Topics

Collections

Details

License:
Apache-2.0
Maturity:
Emerging
Cost:
Free of charge
Tool Type:
workflow
Operating Systems:
Linux, Mac, Windows
Programming Languages:
Python
Added:
11/30/2021
Last Updated:
6/23/2026

Operations

Data Inputs & Outputs

Publications

Documentation

Downloads

Links

Related Tools

ambertools
Relation: uses
biobb
Relation: uses