# | Line 10 | Line 10 | electrostaticSummationMethod = "none"; | |
---|---|---|
10 | ||
11 | ensemble = NVT; | |
12 | forceField = "DUFF"; | |
13 | < | electrostaticSummationMethod = "none"; |
14 | < | dielectric = 80.0; |
13 | > | electrostaticSummationMethod = "shifted_force"; |
14 | cutoffRadius = 9.0; | |
15 | switchingRadius = 7.7; | |
16 | ||
18 | – | |
19 | – | |
17 | targetTemp = 300; | |
18 | targetPressure = 1.0; | |
19 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |