Name		Name	Last commit message	Last commit date
toppar		toppar
Polyethylene2_2023.ipynb		Polyethylene2_2023.ipynb
README.md		README.md
index.ndx		index.ndx
step3_input.gro		step3_input.gro
step4.0_minimization.gro		step4.0_minimization.gro
step4.0_minimization.mdp		step4.0_minimization.mdp
step4.1_equilibration.mdp		step4.1_equilibration.mdp
step5_1.gro		step5_1.gro
step5_1.xtc		step5_1.xtc
step5_production.mdp		step5_production.mdp
topol.top		topol.top

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Polyethylene

This is a github repository that contains gromacs simulation files and trajectories to run a cubic polyethylene melt.

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