lmp2gro: A Python Tool for Converting LAMMPS Data Files into GROMACS Topologies

Alexandre Moni Pereira, Jarede da Silva Martins, Marcelo Albuquerque, Luciano T. Costa

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DOI: 10.1021/acs.jcim.6c01430
Published: 2026-07-20
Container: Journal of Chemical Information and Modeling
Publisher: American Chemical Society (ACS)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jcim.6c01430,
  title = {lmp2gro: A Python
Tool for Converting LAMMPS Data
Files into GROMACS Topologies},
  author = {Alexandre Moni Pereira and Jarede da Silva Martins and Marcelo Albuquerque and Luciano T. Costa},
  year = {2026},
  journal = {Journal of Chemical Information
and Modeling},
  doi = {10.1021/acs.jcim.6c01430},
  url = {https://doi.org/10.1021/acs.jcim.6c01430}
}

RIS

TY  - JOUR
TI  - lmp2gro: A Python
Tool for Converting LAMMPS Data
Files into GROMACS Topologies
AU  - Alexandre Moni Pereira
AU  - Jarede da Silva Martins
AU  - Marcelo Albuquerque
AU  - Luciano T. Costa
PY  - 2026
JO  - Journal of Chemical Information
and Modeling
DO  - 10.1021/acs.jcim.6c01430
UR  - https://doi.org/10.1021/acs.jcim.6c01430
ER  -

APA

Pereira, A. M., Martins, J. D. S., Albuquerque, M., & Costa, L. T. (2026). lmp2gro: A Python Tool for Converting LAMMPS Data Files into GROMACS Topologies. Journal of Chemical Information and Modeling. https://doi.org/10.1021/acs.jcim.6c01430

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crossref · retrieved 2026-09-27T15:33:20.979Z