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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

Jarede da Silva Martins

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Review Open access Jul 2026

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

The versatility of the lmp2gro tool is demonstrated through two case studies: H2 adsorption in MOF-5 (IRMOF-1) using the universal force field (UFF) and the behavior of a water droplet on a silica Q4 surface using the INTERFACE-FF.

Alexandre Moni Pereira, Jarede da Silva Martins, Marcelo Albuquerque et al. · 0 citations

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