Empirical Force Field Models Molecular Mechanics

Empirical Force Field Models Molecular Mechanics 

Many of the molecular modelling force fields in use today for molecular systems can be interpreted in terms of a relatively simple four-component picture of the intra- and inter-molecular forces within the system. Energetic penalties are associated with the deviation of bonds and angles away from their reference or equilibrium values, there is a function 

Fig 41 Schematic representation of the four key contributions to a molecular mechanics force field bond stretching, angle bending and torsional terms and non-bonded interactions 

A typical force field model for propane contains ten bond-stretching terms, eighteen angle-bending terms, sixteen torsional terms and 27 non-bonded interactions 

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Empirical Force Field Models Molecular Mechanics... 

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