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Molecular Modeling
Protein-Ligand Interaction Energy in GROMACS (Rerun Guide)
Compute Coulomb and LJ protein-ligand interaction energy in GROMACS with energygrps, mdrun -rerun and gmx energy. Follow the exact commands.
DA
Dr. Abdul Rajjak Shaikh
·
13 min read
September 14, 2026
Programs
Schools (Class 9 to 12)
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Read the research
Our teachers
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