CHARMM36

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Molecular Modeling How to Choose a Force Field for Your GROMACS Simulation (CHARMM36 vs AMBER vs OPLS) Decide which force field to pick at the GROMACS pdb2gmx step. Compare CHARMM36, AMBER and OPLS, and learn to justify your choice… DA Dr. Abdul Rajjak Shaikh · 9 min read June 30, 2026 Updated

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