The reference values b0 and q0 are also adjusted to fit experimental data.
The reference values b0 and q0 are also adjusted to fit experimental data. The reference bond lengths for hydrocarbons were also adjusted. When using CFF95 or later Step 3a requires a CFF-capable rtf file. Bend-Twist interaction between a dihedral angle and its valence angles. Stretch-Twist interaction between a dihedral angle and its end bonds. Stretch-Stretch interaction between two bonds in a valence angle. This energy is fit to the quantum mechanical energy. Stretch-Twist interaction between a dihedral angle and its middle bond. Stretch-Bend interaction between an angle and its bonds.