| # | Line 10 | Line 10 | forceField = "WATER"; | |
|---|---|---|
| 10 | ||
| 11 | ||
| 12 | ensemble = NVT; | |
| 13 | < | forceField = "WATER"; |
| 14 | < | useReactionField = "false"; |
| 13 | > | forceField = "DUFF"; |
| 14 | > | electrostaticSummationMethod = "none" |
| 15 | dielectric = 80.0; | |
| 16 | cutoffRadius = 9.0; | |
| 17 | switchingRadius = 7.8; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |