| 55 |
|
Br 79.904 |
| 56 |
|
Kr 83.80 |
| 57 |
|
U 1.00 |
| 58 |
< |
GB 48.0428 |
| 58 |
> |
GB 48.0428 |
| 59 |
> |
linear 48.0428 |
| 60 |
|
end AtomTypes |
| 61 |
|
|
| 62 |
|
begin DirectionalAtomTypes |
| 70 |
|
TAP 1.7696 0.6145 1.1550 |
| 71 |
|
HEAD 1125 1125 250 |
| 72 |
|
GB 86.477 86.477 0 |
| 73 |
+ |
linear 86.477 86.477 0 |
| 74 |
|
end DirectionalAtomTypes |
| 75 |
|
|
| 76 |
|
begin GayBerneAtomTypes |
| 77 |
|
//Name Sigma 12b_ratio eps eps_ratio mu nu |
| 78 |
|
GB 3.35 2.074626866 1.31713 .178317250385 2.0 1.0 |
| 79 |
+ |
linear 3.35 2.074626866 1.31713 .178317250385 2.0 1.0 |
| 80 |
|
end GayBerneAtomTypes |
| 81 |
|
|
| 82 |
|
begin LennardJonesAtomTypes |