| # | Line 9 | Line 9 | forceField = "TraPPE_Ex"; | |
|---|---|---|
| 9 | ||
| 10 | ||
| 11 | initialConfig = "./init_butane.eor"; | |
| 12 | < | forceField = "TraPPE_Ex"; |
| 12 | > | forceField = "DUFF"; |
| 13 | targetTemp = 300.0; | |
| 14 | ensemble = NVE; | |
| 15 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |