A short note on the fast evaluation of dihedral angle potentials and their derivatives. (English) Zbl 1245.82002
Summary: Dihedral angle potentials, which are used in many force fields for molecular dynamics simulations, model the energy of twisting a bond as a function of the angle between surfaces spanned by particles.
MSC:
| 82-08 | Computational methods (statistical mechanics) (MSC2010) |
References:
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