# | Line 8 | Line 8 | ensemble = NVE; | |
---|---|---|
8 | ||
9 | initialConfig = "./ssdrf.in"; | |
10 | ||
11 | < | ensemble = NVE; |
12 | < | forceField = "WATER"; |
13 | < | electrostaticSummationMethod = "none"; |
11 | > | ensemble = nve; |
12 | > | forceField = "DUFF"; |
13 | > | electrostaticSummationMethod = "reaction_field"; |
14 | dielectric = 80.0; | |
15 | cutoffRadius = 9.0; | |
16 | switchingRadius = 7.7; | |
# | Line 28 | Line 28 | sampleTime = 1000; | |
28 | ||
29 | //tempSet = "true"; | |
30 | //thermalTime = 10; | |
31 | < | sampleTime = 1000; |
32 | < | statusTime = 100; |
31 | > | sampleTime = 100; |
32 | > | statusTime = 10; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |