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Molecular Dynamics (MD) is crucial in various fields such as materials science, chemistry, and pharmacology to name a few.
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Charmm general force field: A force field for drug-like molecules compatible with the charmm all-atom additive biological force fields
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Optimization of the additive charmm all-atom protein force field targeting improved sampling of the backbone ϕ \phi , ψ \psi and side-chain χ \chi 1 and χ \chi 2 dihedral angles
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