************************************************ * JEDI ANALYSIS * * Judgement of Energy DIstribution * ************************************************ Strain Energy (kcal/mol) Deviation (%) Geometries 3.13090823 - Red. Int. Modes 3.72150556 18.86 RIM No. RIM type indices delta_q (au) Percentage Energy (kcal/mol) 1 bond C0 C1 0.0000000 0.0 0.0000000 2 bond C0 C5 0.0000000 0.0 0.0000000 3 bond C1 C2 0.0000000 0.0 0.0000000 4 bond C1 H12 0.0000000 0.0 0.0000000 5 bond C2 C3 0.0000000 0.0 0.0000000 6 bond C2 H13 0.0000000 0.0 0.0000000 7 bond C3 C4 0.0000000 0.0 0.0000000 8 bond C3 H14 0.1889726 100.0 3.7215056 9 bond C4 C5 0.0000000 0.0 0.0000000 10 bond C4 H15 0.0000000 0.0 0.0000000 11 bond C5 H16 0.0000000 0.0 0.0000000 12 bond angle C0 C1 C2 0.0000000 0.0 0.0000000 13 bond angle C0 C1 H12 0.0000000 0.0 0.0000000 14 bond angle C0 C5 C4 0.0000000 0.0 0.0000000 15 bond angle C0 C5 H16 0.0000000 0.0 0.0000000 16 bond angle C1 C0 C5 0.0000000 0.0 0.0000000 17 bond angle C1 C2 C3 0.0000000 0.0 0.0000000 18 bond angle C1 C2 H13 0.0000000 0.0 0.0000000 19 bond angle C2 C1 H12 0.0000000 0.0 0.0000000 20 bond angle C2 C3 C4 0.0000000 0.0 0.0000000 21 bond angle C2 C3 H14 0.0000000 0.0 0.0000000 22 bond angle C3 C2 H13 0.0000000 0.0 0.0000000 23 bond angle C3 C4 C5 0.0000000 0.0 0.0000000 24 bond angle C3 C4 H15 0.0000000 0.0 0.0000000 25 bond angle C4 C3 H14 -0.0000000 -0.0 -0.0000000 26 bond angle C4 C5 H16 0.0000000 0.0 0.0000000 27 bond angle C5 C4 H15 0.0000000 0.0 0.0000000 28 dihedral C5 C0 C1 C2 0.0000000 0.0 0.0000000 29 dihedral C5 C0 C1 H12 0.0000000 0.0 0.0000000 30 dihedral C1 C0 C5 C4 0.0000000 0.0 0.0000000 31 dihedral C1 C0 C5 H16 0.0000000 0.0 0.0000000 32 dihedral C0 C1 C2 C3 0.0000000 0.0 0.0000000 33 dihedral C0 C1 C2 H13 0.0000000 0.0 0.0000000 34 dihedral H12 C1 C2 C3 0.0000000 0.0 0.0000000 35 dihedral H12 C1 C2 H13 0.0000000 0.0 0.0000000 36 dihedral C1 C2 C3 C4 0.0000000 0.0 0.0000000 37 dihedral C1 C2 C3 H14 0.0000000 0.0 0.0000000 38 dihedral H13 C2 C3 C4 0.0000000 0.0 0.0000000 39 dihedral H13 C2 C3 H14 0.0000000 0.0 0.0000000 40 dihedral C2 C3 C4 C5 0.0000000 0.0 0.0000000 41 dihedral C2 C3 C4 H15 0.0000000 0.0 0.0000000 42 dihedral H14 C3 C4 C5 0.0000000 0.0 0.0000000 43 dihedral H14 C3 C4 H15 0.0000000 0.0 0.0000000 44 dihedral C3 C4 C5 C0 0.0000000 0.0 0.0000000 45 dihedral C3 C4 C5 H16 0.0000000 0.0 0.0000000 46 dihedral H15 C4 C5 C0 0.0000000 0.0 0.0000000 47 dihedral H15 C4 C5 H16 0.0000000 0.0 0.0000000 "We would be honored if you would join us." (Darth Vader) Creating tcl scripts for generating color-coded structures in VMD... Processing bond lengths... Maximum energy in a bond length: 100.00% Total energy in the bond lengths: 100.00% Processing bond angles... Maximum energy in a bond angle: 0.00% Total energy in the bond angles: 0.00% Processing dihedral angles... Maximum energy in a dihedral angle: 0.00% Total energy in the dihedral angles: 0.00% Adding all energies for the stretch, bending and torsion of the bond with maximum strain... Maximum energy in bond between atoms 3 and 14: 3.722 kcal/mol.