| # | Line 32 | Line 32 | electrostaticSummationMethod = "none"; | |
|---|---|---|
| 32 | ||
| 33 | ensemble = NVT; | |
| 34 | forceField = "DUFF"; | |
| 35 | < | electrostaticSummationMethod = "none"; |
| 36 | < | dielectric = 80.0; |
| 35 | > | electrostaticSummationMethod = "shifted_force"; |
| 36 | > | electrostaticScreeningMethod = "damped"; |
| 37 | > | dampingAlpha = 0.20; |
| 38 | cutoffRadius = 10.5; | |
| 39 | switchingRadius = 8.925; | |
| 40 | ||
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |