# | Line 10 | Line 10 | electrostaticSummationMethod = "none"; | |
---|---|---|
10 | ||
11 | ensemble = NVT; | |
12 | forceField = "DUFF"; | |
13 | < | electrostaticSummationMethod = "none"; |
13 | > | electrostaticSummationMethod = "shifted_force"; |
14 | dielectric = 80.0; | |
15 | cutoffRadius = 9.0; | |
16 | switchingRadius = 7.7; | |
17 | ||
18 | – | |
19 | – | |
18 | targetTemp = 200; | |
19 | targetPressure = 1.0; | |
20 | ||
# | Line 31 | Line 29 | statusTime = 2; | |
29 | //tempSet = "true"; | |
30 | //thermalTime = 10; | |
31 | sampleTime = 100; | |
32 | < | statusTime = 2; |
32 | > | statusTime = 20; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |