Dear MS Users,
I am trying to make a conformational search based on some dihedral rotations.
My molecule is attached as Molecule.bmp.
I allow the bonds to rotate the dihedral angles by 0, +2Pi/3, -2Pi/3 (Three Rotations).
I have 6 (Six) bonds of such kind in the central part of the molecule.
For six bonds, each having three torsional angles, there should be 729 states.
When I start the "Systematic grid Scan" in Conformers tool, it shows that the estimated conformations are 729.
(In torsions window, I fix the # of Steps=3 and so it has an interval of 120.)
But when it finishes the job successfully, it generates only 137 conformations.
I can’t find out what is going on here. Somebody please help me on this.
Thanks in Advance
Anant
