AMBER2LAMMPS/CITATION.cff at main · askforarun/AMBER2LAMMPS · GitHub

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cff-version: 1.2.0
message: "If you use this software, please cite it as below."
authors:
- family-names: "Sridhar"
  given-names: "Arun"
  orcid: "https://orcid.org/0000-0000-0000-0000"
title: "AMBER2LAMMPS: A Python Utility for Converting AMBER Molecular Dynamics Files to LAMMPS Data Format"
version: 1.0.0
doi: 10.5281/zenodo.18114886
date-released: 2025-01-01
url: "https://github.com/askforarun/AMBER2LAMMPS"
abstract: "A Python utility to convert AMBER molecular dynamics files to LAMMPS data format with enhanced command-line interface and error handling. The python script is validated against output from INTERMOL for accuracy."
license: MIT
repository-code: "https://github.com/askforarun/AMBER2LAMMPS"
keywords:
- molecular dynamics
- AMBER
- LAMMPS
- file conversion
- charge normalization
- Python
- scientific computing
references:
- type: software
  title: "AMBER2LAMMPS: A Python Utility for Converting AMBER Molecular Dynamics Files to LAMMPS Data Format"
  authors:
  - family-names: "Sridhar"
    given-names: "Arun"
  year: 2025
  doi: 10.5281/zenodo.18114886
  url: "https://github.com/askforarun/AMBER2LAMMPS"