New Formulation for Derivatives of Torsion Angles and Improper Torsion Angles in Molecular Mechanics¶
Blondel, A., & Karplus, M. (1996). New Formulation for Derivatives of Torsion Angles and Improper Torsion Angles in Molecular Mechanics. Journal of Computational Chemistry, 1132-1141.
Cited by¶
1 citation across 1 artifact.
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Domain-specific¶
- Dihedral Angle
- If either cross product is nearly zero, three consecutive points are nearly collinear and the torsion is poorly determined.
This sourcePrimary computational treatment of torsion-angle formulas and singularities.
- If either cross product is nearly zero, three consecutive points are nearly collinear and the torsion is poorly determined.
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