Computational Structural Biology Lab

Department of Biotechnology
Indian Institute of Technology Kharagpur

Gromacs Tutorial

Welcome to Gromacs Tutorial for Computational Structural Biology (CSB)!

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To install gromacs on your machine follow the tutorial below:

Gromacs 2023.3: Installation tutorial.

Gromacs Input parameter files

Download Gromacs Input Parameter Files

Download pdb file 8ID2_sim.pdb

OR

Download a PDF file: Protein-RNA MD simulation tutorial.

Download trajectory analysis tutorial: Analysis tutorial.