Dihedral angle |
Stretch |
Bend |
Stretch-Bend |
Torsion |
Non-1.4 VDW |
1,4 VDW |
Total |
-180 |
0.1535 |
0.2840 |
0.0532 |
0.0072 |
-0.4034 |
2.0789 |
2.1734 |
150 |
0.1535 |
0.2840 |
0.0532 |
1.1394 |
-0.2441 |
2.5116 |
3.8975 |
120 |
0.1535 |
0.2840 |
0.0532 |
2.3623 |
-0.1943 |
2.9743 |
5.6329 |
90 |
0.1535 |
0.2840 |
0.0532 |
1.4285 |
-0.3010 |
2.5589 |
4.1770 |
60 |
0.1535 |
0.2840 |
0.0532 |
0.3597 |
0.7378 |
2.2470 |
3.8352 |
30 |
0.1535 |
0.2840 |
0.0532 |
1.3126 |
2.2429 |
2.9240 |
6.9702 |
0 |
0.1535 |
0.2840 |
0.0532 |
2.3098 |
3.8979 |
3.5563 |
10.2546 |
-30 |
0.1535 |
0.2840 |
0.0532 |
1.3126 |
2.2429 |
2.9240 |
6.9702 |
-60 |
0.1535 |
0.2840 |
0.0532 |
0.3597 |
0.7378 |
2.2470 |
3.8352 |
-90 |
0.1535 |
0.2840 |
0.0532 |
1.4285 |
-0.3010 |
2.5589 |
4.1770 |
-120 |
0.1535 |
0.2840 |
0.0532 |
2.3623 |
-0.1943 |
2.9743 |
5.6329 |
-150 |
0.1535 |
0.2840 |
0.0532 |
1.1394 |
-0.2441 |
2.5116 |
3.8975 |
-180 |
0.1535 |
0.2840 |
0.0532 |
0.0072 |
-0.4034 |
2.0789 |
2.1734 |
|
Calculation
started |
|
Stretch: 0.1535 |
|
Bend: 0.2840 |
|
Stretch-Bend: 0.0532 |
|
Torsion: 1.4285 |
|
Non-1,4 VDW: -0.3010 |
|
1,4 VDW: 2.5589 |
|
Total: 4.1770 |
|
|
Calculation
completed |
|
|
Calculation
started |
|
Stretch: 0.1535 |
|
Bend: 0.2840 |
|
Stretch-Bend: 0.0532 |
|
Torsion: 2.3623 |
|
Non-1,4 VDW: -0.1943 |
|
1,4 VDW: 2.9743 |
|
Total: 5.6329 |
|
|
Calculation
completed |
|
|
Calculation
started |
|
Stretch: 0.1535 |
|
Bend: 0.2840 |
|
Stretch-Bend: 0.0532 |
|
Torsion: 1.1394 |
|
Non-1,4 VDW: -0.2441 |
|
1,4 VDW: 2.5116 |
|
Total: 3.8975 |
|
|
Calculation
completed |
|
|
|
|
|
|
|
|
|