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

Li, Shuo (liso) liso at mail.uc.edu
Tue Jul 20 20:58:04 CEST 2010


Does anyone also use LAMMPS? I want to ask if anyone has written a tool which transfers Gromacs input files (.itp, .top, and .gro files) into a lammps ".data" input file.

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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