| # | Line 6 | Line 6 | initialConfig = "./SPCEinit.in"; | |
|---|---|---|
| 6 | nMol = 256; | |
| 7 | } | |
| 8 | ||
| 9 | < | initialConfig = "./SPCEinit.in"; |
| 9 | > | initialConfig = "./spce.in"; |
| 10 | ||
| 11 | ensemble = NVE; | |
| 12 | forceField = "WATER"; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |