Computational Structural Biology Lab
Source: http://www.csb.iitkgp.ac.in/tutorials/gromacs/gromacs_index.php Parent: http://www.csb.iitkgp.ac.in/
Department of Bioscience and Biotechnology Indian Institute of Technology Kharagpur
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Python for CSB
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.