| # | Line 69 | Line 69 | begin ChargeAtomTypes | |
|---|---|---|
| 69 | Kr 0.32590340268 3.83 | |
| 70 | end LennardJonesAtomTypes | |
| 71 | ||
| 72 | < | begin ChargeAtomTypes |
| 73 | < | end ChargeAtomTypes |
| 74 | < | |
| 75 | < | begin DipoleAtomTypes |
| 76 | < | end DipoleAtomTypes |
| 72 | > | begin ElectrostaticAtomTypes |
| 73 | > | end ElectrostaticAtomTypes |
| 74 | ||
| 75 | begin StickyAtomTypes | |
| 76 | end StickyAtomTypes | |
| # | Line 263 | Line 260 | end TorsionTypes | |
| 260 | //Atom1 Atom2 Atom3 Atom4 Polynomial i Ki [j Kj] | |
| 261 | //VPolynomial = Ki (cos phi)^i + ... + Kj (cos phi)^j | |
| 262 | ||
| 263 | < | end TorsionTypes |
| 263 | > | end TorsionTypes |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |