Parameters from AutoDock Version 1
Lennard-Jones
C6
parameters (AutoDock version 1.0)
|
|
C
|
N
|
O
|
S
|
H
|
|
C
|
1127.684
|
783.3452
|
633.7542
|
1476.364
|
226.9102
|
|
N
|
783.3452
|
546.7653
|
445.9175
|
1036.932
|
155.9833
|
|
O
|
633.7542
|
445.9175
|
368.6774
|
854.6872
|
124.0492
|
|
S
|
1476.364
|
1036.932
|
854.6872
|
1982.756
|
290.0756
|
|
H
|
226.9102
|
155.9833
|
124.0492
|
290.0756
|
46.73839
|
Lennard-Jones
C12
parameters (AutoDock version 1.0)
|
|
C
|
N
|
O
|
S
|
H
|
|
C
|
1272653.
|
610155.1
|
588883.8
|
1569268.
|
88604.24
|
|
N
|
610155.1
|
266862.2
|
249961.4
|
721128.6
|
39093.66
|
|
O
|
588883.8
|
249961.4
|
230584.4
|
675844.1
|
38919.64
|
|
S
|
1569268.
|
721128.6
|
675844.1
|
1813147.
|
126821.3
|
|
H
|
88604.24
|
39093.66
|
38919.64
|
126821.3
|
1908.578
|
Hydrogen bonding 12-10 parameters (AutoDock version 1.0)
|
Atoms i-j
|
C12
|
C10
|
|
O-H
|
75570.
|
23850.
|
|
N-H
|
75570.
|
23850.
|
|
S-H
|
2657200.
|
354290.
|