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Convert file format from GROMACS to xyz

Posted Feb 11, 2024
By Mark Liao
1 min read

Convert g96 to xyz

1

gmx editconf -f input.g96 -o output.gro

1

obabel input.gro -O output.xyz
Molecular Dynamics, GROMACS
GROMACS
This post is licensed under CC BY 4.0 by the author.
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