Automated Workflow for Molecular Dynamic Simulation on Proteins & Ligands ( / Drugs) using Gromacs
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Updated
Oct 10, 2020 - Shell
Molecular dynamics allows the atoms and molecules to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.
Automated Workflow for Molecular Dynamic Simulation on Proteins & Ligands ( / Drugs) using Gromacs
This bash script requires gromacs and python installed on your system.
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