1 |
|
begin ShapeInfo |
2 |
|
#name mass I_xx I_yy I_zz |
3 |
< |
linear 48.0428 86.477 86.477 0 |
3 |
> |
linear 48.0428 86.477 86.477 0 |
4 |
|
end ShapeInfo |
5 |
|
|
6 |
|
begin ContactFunctions |
7 |
|
#l m sin or cos coeff (Ang) |
8 |
< |
0 0 cos 4.32851 |
9 |
< |
2 0 cos 2.64072 |
10 |
< |
6 0 cos -0.146442 |
8 |
> |
0 0 cos 4.35343 |
9 |
> |
2 0 cos 2.60069 |
10 |
> |
4 0 cos -0.125308 |
11 |
> |
6 0 cos -0.0743899 |
12 |
|
end ContactFunctions |
13 |
|
|
14 |
|
begin RangeFunctions |
15 |
|
#l m sin or cos coeff (Ang) |
16 |
< |
0 0 cos 3.56035 |
17 |
< |
2 0 cos 0.28064 |
18 |
< |
4 0 cos 0.104529 |
19 |
< |
6 0 cos 0.285028 |
16 |
> |
0 0 cos 3.71718 |
17 |
> |
4 0 cos -0.844367 |
18 |
> |
6 0 cos 0.33514 |
19 |
> |
8 0 cos 0.395519 |
20 |
> |
10 0 cos -1.23786 |
21 |
> |
12 0 cos 0.300902 |
22 |
> |
14 0 cos 1.05381 |
23 |
|
end RangeFunctions |
24 |
|
|
25 |
|
begin StrengthFunctions |
26 |
|
#l m sin or cos coeff (kcal/mol) |
27 |
< |
0 0 cos 0.705782 |
28 |
< |
2 0 cos -0.793274 |
29 |
< |
4 0 cos 0.3388 |
30 |
< |
6 0 cos -0.045476 |
27 |
> |
0 0 cos 0.784136 |
28 |
> |
2 0 cos -0.85371 |
29 |
> |
4 0 cos 0.391814 |
30 |
> |
6 0 cos -0.102928 |
31 |
|
end StrengthFunctions |