# 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

- [Home](http://www.csb.iitkgp.ac.in/)
- [Research](http://www.csb.iitkgp.ac.in/pages/research.php)
- [Publications](http://www.csb.iitkgp.ac.in/pages/publications.php)
- [Teaching](http://www.csb.iitkgp.ac.in/pages/teaching.php)
- Tutorials
  - [Python Tutorial](http://www.csb.iitkgp.ac.in/tutorials/python/python_index.php)
  - [Gromacs Tutorial](http://www.csb.iitkgp.ac.in/tutorials/gromacs/gromacs_index.php)
- Tools
  - [PRince](http://www.facweb.iitkgp.ac.in/~rbahadur/prince/home.html)
  - [Layers](http://www.csb.iitkgp.ac.in/applications/mol_layers/main.php)
  - [HotSPRing](http://www.csb.iitkgp.ac.in/applications/HotSPRing/main.php)
  - [NCodR](http://www.csb.iitkgp.ac.in/applications/NCodR/index.php)
  - [Nucpred](http://www.csb.iitkgp.ac.in/applications/Nucpred/index.php)
  - [pmiRScan](http://www.csb.iitkgp.ac.in/applications/pmiRScan/index.php)
  - [proRBR](http://www.csb.iitkgp.ac.in/applications/proRBR/index.php)
  - [Rotamers for RBPs](http://www.csb.iitkgp.ac.in/applications/RBP-Rotamer/rotamer.php)
  - [MetIoR](http://www.csb.iitkgp.ac.in/applications/MetIoR/index.php)
- Databases
  - [PMMLID](http://www.csb.iitkgp.ac.in/databases/miR_details/index.php)
  - [TFNRDv1.0](http://www.csb.iitkgp.ac.in/databases/TFNRDv1.0/tfnrd.html)
  - [ProRBR Dataset](http://www.csb.iitkgp.ac.in/applications/proRBR_dataset/proRBR.php)
- Benchmarks
  - [Protein-RNA Docking Benchmark version 3](http://www.csb.iitkgp.ac.in/applications/PRDBv3/PRDBv3.php)
  - [Protein-RNA Docking Benchmark version 2](http://www.csb.iitkgp.ac.in/applications/PRDBv2.php)
  - [Protein-RNA Docking Benchmark version 1](http://www.csb.iitkgp.ac.in/applications/benchmark.php)
  - [Protein-RNA Affinity Benchmark](http://www.csb.iitkgp.ac.in/applications/PRDBv3/Affinity.php)
- [Members](http://www.csb.iitkgp.ac.in/pages/members.php)
- Links
  - [Bioinformatics Centre](http://www.csb.iitkgp.ac.in/bioinformatics_centre/index.html)
  - [Homepage IITKGP](http://www.iitkgp.ac.in)
  - [Homepage Department of Biotechnology](http://www.bt.iitkgp.ac.in)
- [Contact](http://www.csb.iitkgp.ac.in/pages/contact.php)

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](http://www.csb.iitkgp.ac.in/tutorials/gromacs/pdfs/INSTALLATION_GROMACS_2023.3.pdf).

### Gromacs Input parameter files

Download [Gromacs Input Parameter Files](http://www.csb.iitkgp.ac.in/tutorials/gromacs/gromacs_input_files.zip)

Download pdb file [8ID2\_sim.pdb](http://www.csb.iitkgp.ac.in/tutorials/gromacs/8ID2_sim.pdb)

#### OR

Download a PDF file: [Protein-RNA MD simulation tutorial](http://www.csb.iitkgp.ac.in/tutorials/gromacs/pdfs/Protein-RNA MD simulation tutorial_1.pdf).

**Download trajectory analysis tutorial:** [Analysis tutorial](http://www.csb.iitkgp.ac.in/tutorials/gromacs/pdfs/ANALYSIS.pdf).