************************************************
 *                 JEDI ANALYSIS                *
 *       Judgement of Energy DIstribution       *
 ************************************************

                   Strain Energy (kcal/mol)  Deviation (%)
      Ab initio     2.86357217                  -
 JEDI                 3.44529323                20.31

 RIC No.       RIC type                       indices        delta_q (au) Percentage    Energy (kcal/mol)
     1       bond                                C2 N3        0.0000000      0.0        0.0000000
     2       bond                                C2 H5        0.1889726    100.0        3.4452932
     3       bond                                C8 N9        0.0000000      0.0        0.0000000
     4       bond                               C8 H11        0.0000000      0.0        0.0000000
     5       bond angle                       N3 C2 H5        0.0000000      0.0        0.0000000
     6       bond angle                      N9 C8 H11        0.0000000      0.0        0.0000000
"Beep" (R2D2)


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%

Adding all energies for the stretch, bending and torsion of the bond with maximum strain...
Maximum energy in bond between atoms 2 and 5: 3.445 kcal/mol.