| # | Line 369 | Line 369 | ensemble = NVE; | |
|---|---|---|
| 369 | } | |
| 370 | ||
| 371 | ensemble = NVE; | |
| 372 | < | forceField = \"DUFF\"; |
| 372 | > | forceField = \"Amber\"; |
| 373 | electrostaticSummationMethod = \"shifted_force\"; | |
| 374 | electrostaticScreeningMethod = \"damped\"; | |
| 375 | cutoffRadius = $cutoff; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |