19 |
|
TE3 0 0 65.0 0.185 8.0 |
20 |
|
|
21 |
|
#BondTypes |
22 |
< |
!Atom1 Atom2 type distance |
22 |
> |
!Atom1 Atom2 type distance k0 (kcal/mol) |
23 |
|
|
24 |
|
HEAD CH3 fixed 2.75 |
25 |
|
HEAD CH2 fixed 2.75 |
27 |
|
HEAD TB1 fixed 2.76 |
28 |
|
HEAD TB2 fixed 3.20 |
29 |
|
HEAD TB3 fixed 3.63 |
30 |
< |
CH3 CH3 fixed 1.54 |
31 |
< |
CH3 CH2 fixed 1.54 |
32 |
< |
CH3 CH fixed 1.54 |
33 |
< |
CH2 CH2 fixed 1.54 |
34 |
< |
CH2 CH fixed 1.54 |
35 |
< |
CH CH fixed 1.54 |
30 |
> |
CH3 CH3 harmonic 1.526 260 |
31 |
> |
CH3 CH2 harmonic 1.526 260 |
32 |
> |
CH3 CH harmonic 1.526 260 |
33 |
> |
CH2 CH2 harmonic 1.526 260 |
34 |
> |
CH2 CH harmonic 1.526 260 |
35 |
> |
CH CH harmonic 1.526 260 |
36 |
|
TB1 TB1 fixed 1.56 |
37 |
|
TB2 TB2 fixed 2.34 |
38 |
|
TB3 TB3 fixed 3.12 |