Dear all,
Is there a reference list to show the initial value of the
- bond length between 2 atoms? (e.g what is the bond length between the
pairs of atom (a, b), (c, d) (a, e) and etc. What is the minimum and
maximum value of the bond length?)
- angle between 3 atoms? (e.g what is the angle between atom (a, b, c),
(c, d, e), (a, e, j) and etc).
- torsion between 4 atoms? (e.g what is the torsion between atom (a, b, c,
d), (c, d, e, g), (a, e, j, k) and etc).
I need the above values to fill up a Z-matrix table and to create a
Z-matrix program so that I can input the information of a structure. If
the bond lengths and the angles are fixed, what parameters do I need to
calculate the torsion angles and to vary the torsion angles?
Are there any files and source codes in Avogadro distribution related to
my questions?
Thanks & regards,
Sandy
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