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• 15:49, 10 May 2022 Admin talk contribs created page Ammm:Ff gau grom prdrug (Created page with "= Introduction = == When do we need to create parameters? == *System size is too large for QM '''and''' *Molecule has not been parameterized for the force field being used '''or''' *Molecular environment or conformation is substantially different == Overview of parameterization: == === Quantum Mechanics (QM) === *Optimized (a.k.a. minimum energy) geometry search *Single point calculation to fit the electrostatic potential *Torsion energy profile to calculate...")