| # | Line 2 | Line 2 | component{ | |
|---|---|---|
| 2 | ||
| 3 | nComponents = 2; | |
| 4 | component{ | |
| 5 | < | type = "SSD_E"; |
| 5 | > | type = "Cl-"; |
| 6 | nMol = 1; | |
| 7 | } | |
| 8 | component{ | |
| 9 | < | type = "Cl-"; |
| 9 | > | type = "SSD_E"; |
| 10 | nMol = 1; | |
| 11 | } | |
| 12 | ||
| # | Line 14 | Line 14 | forceField = "WATER"; | |
| 14 | ||
| 15 | ||
| 16 | ensemble = NVT; | |
| 17 | < | forceField = "WATER"; |
| 18 | < | useReactionField = "false"; |
| 17 | > | forceField = "DUFF"; |
| 18 | > | electrostaticSummationMethod = "none" |
| 19 | dielectric = 80.0; | |
| 20 | cutoffRadius = 9.0; | |
| 21 | switchingRadius = 7.8; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |