Parameters |
CBZ-MEL |
CBZ-IBU |
CBZ-MEF |
Iteration |
95 |
69 |
362 |
Stretch |
14 |
3.55 |
4.95 |
Bend |
129 |
9.86 |
14.97 |
Stretch bend |
-6.43 |
0.08 |
-4.59 |
Torsion |
30 |
3.59 |
-28.65 |
Non-1,4 VDW |
-9.39 |
-10.92 |
-6.87 |
Dipole/Dipole |
33 |
21.18 |
15.57 |
Steric energy |
-13.47 |
-4.33 |
-5.89 |
Total energy |
178.02 |
23.02 |
-10.51 |
|
