CHARMM

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CHARMM (Chemistry at HARvard Molecular Mechanics) [1] is a program for macromolecular simulations, including energy minimization, molecular dynamics and Monte Carlo and also is the name of a widely used set of force fields for molecular dynamics.

Force field[edit]

Functional form[edit]

Parameters[edit]

References[edit]

  1. ↑ "CHARMM and the Development of Methods and Techniques in Molecular Mechanics", Journal of Computational Chemistry Virtual Issue, August (2009)

Related reading

Extermal links[edit]

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