ruanyangry/gromacs-lammps-process-simulation ruanyangry/gromacs-lammps-process-simulation

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  • Created over 6 years ago
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ruanyangry/gromacs-lammps-process-simulation
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ruanyangry

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Repository Details

This repository contained python code used to do gromacs and lammps molecular dynamics simulation. Process to generate topology files compatible with AMBER force field (GAFF). Automatically generate simulation control files for gromacs and lammps.

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