| # | Line 31 | Line 31 | forceField = "DUFF"; | |
|---|---|---|
| 31 | ||
| 32 | ensemble = NVE; | |
| 33 | forceField = "DUFF"; | |
| 34 | < | electrostaticSummationMethod = "shifted_force"; |
| 34 | > | cutoffMethod = "shifted_force"; |
| 35 | electrostaticScreeningMethod = "damped"; | |
| 36 | < | cutoffRadius = 12; |
| 37 | < | dampingAlpha = 0.18; |
| 38 | < | switchingRadius = 12; |
| 36 | > | cutoffRadius = 28; |
| 37 | > | dampingAlpha = 0.14159292; |
| 38 | > | switchingRadius = 28; |
| 39 | ||
| 40 | + | |
| 41 | dt = 2.0; | |
| 42 | runTime = 2; | |
| 43 | sampleTime = 100; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |