# LAMMPS TO GROMACS 

**URL:** <https://gromacs.bioexcel.eu/t/lammps-to-gromacs/13229>\
**Category:** Third party tools and files\
**Created:** [February 18, 2026, 10:34am UTC](https://gromacs.bioexcel.eu/t/lammps-to-gromacs/13229 "2026-02-18T10:34:37Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![askforarun](https://avatars.discourse-cdn.com/v4/letter/a/c5a1d2/32.png) [@askforarun](https://gromacs.bioexcel.eu/u/askforarun)\
**Post date:** [February 18, 2026, 10:34am UTC](https://gromacs.bioexcel.eu/t/lammps-to-gromacs/13229/1 "2026-02-18T10:34:37Z")

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A lightweight Python utility to convert LAMMPS structures into GROMACS `.gro` format. The tool includes residue naming support to improve topology handling and interoperability between simulation workflows. Designed for simplicity, reproducibility, and ease of integration into existing molecular-dynamics pipelines.

**Link:**  
[https://github.com/askforarun/lammps\_to\_gro](https://github.com/askforarun/lammps_to_gro)

**Contact person (name and email address):**  
Dr. Arun Srikanth Sridhar  
[a.sridhar@hw.ac.uk](mailto:a.sridhar@hw.ac.uk) _(or [askforarun@gmail.com](mailto:askforarun@gmail.com))_

**How the work has been tested/reviewed:**  
Tested on representative molecular-dynamics systems generated in LAMMPS and validated by successfully loading the resulting `.gro` files and .top files in GROMACS workflows and by comparing energies. The code follows reproducible research-software practices and is openly available on GitHub for community testing, feedback, and review.