| # | Line 45 | Line 45 | end Options | |
|---|---|---|
| 45 | dielectric = 1.0 | |
| 46 | end Options | |
| 47 | ||
| 48 | < | begin AtomTypes |
| 48 | > | begin BaseAtomTypes |
| 49 | //Name mass (amu) | |
| 50 | h* 1.0079 | |
| 51 | ho 1.0079 | |
| # | Line 71 | Line 71 | Cl 35.453 | |
| 71 | Ca 40.078 | |
| 72 | Ba 137.327 | |
| 73 | Cl 35.453 | |
| 74 | < | end AtomTypes |
| 74 | > | end BaseAtomTypes |
| 75 | ||
| 76 | begin LennardJonesAtomTypes | |
| 77 | //Name epsilon R0 | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |