[lammps-users] I wonder if anyone has a "gmx2lmp" tool

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1

Hello everyone:

Does anyone also use GROMACS? I already have GROMACS input files (.itp, .top, and .gro files) on hand. I wonder if there is a convenient way to trasfer them into a lammps ".data" input file. Has anyone written such a tool?

Thank you!

Shuo Li
Ph.D. Candidate in Chemical Engineering
Department of Chemical & Materials Engineering
University of Cincinnati
Cincinnati, OH 45221

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I'm not aware of any such tool. Would be great if someone wants
to write one. We like to distribute tools that let people pass data
back and forth between LAMMPS and other MD codes.

Steve