21 |
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#BondTypes |
22 |
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!Atom1 Atom2 type distance k0 (kcal/mol) |
23 |
|
|
24 |
< |
HEAD CH3 fixed 2.75 |
25 |
< |
HEAD CH2 fixed 2.75 |
26 |
< |
HEAD CH fixed 2.75 |
27 |
< |
HEAD TB1 fixed 2.76 |
28 |
< |
HEAD TB2 fixed 3.20 |
29 |
< |
HEAD TB3 fixed 3.63 |
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 |
39 |
< |
TB1 TE1 fixed 1.56 |
40 |
< |
TB2 TE2 fixed 2.34 |
41 |
< |
TB3 TE3 fixed 3.12 |
24 |
> |
HEAD CH3 fixed 2.75 260 |
25 |
> |
HEAD CH2 fixed 2.75 260 |
26 |
> |
HEAD CH fixed 2.75 260 |
27 |
> |
HEAD TB1 fixed 2.76 260 |
28 |
> |
HEAD TB2 fixed 3.20 260 |
29 |
> |
HEAD TB3 fixed 3.63 260 |
30 |
> |
CH3 CH3 fixed 1.526 260 |
31 |
> |
CH3 CH2 fixed 1.526 260 |
32 |
> |
CH3 CH fixed 1.526 260 |
33 |
> |
CH2 CH2 fixed 1.526 260 |
34 |
> |
CH2 CH fixed 1.526 260 |
35 |
> |
CH CH fixed 1.526 260 |
36 |
> |
TB1 TB1 fixed 1.526 260 |
37 |
> |
TB2 TB2 fixed 2.34 260 |
38 |
> |
TB3 TB3 fixed 3.12 260 |
39 |
> |
TB1 TE1 fixed 1.526 260 |
40 |
> |
TB2 TE2 fixed 2.34 260 |
41 |
> |
TB3 TE3 fixed 3.12 260 |
42 |
|
|
43 |
|
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44 |
|
|