# | Line 10 | Line 10 | forceField = "WATER"; | |
---|---|---|
10 | ||
11 | ||
12 | ensemble = NVT; | |
13 | < | forceField = "WATER"; |
14 | < | useReactionField = "false"; |
13 | > | forceField = "DUFF"; |
14 | > | electrostaticSummationMethod = "none" |
15 | dielectric = 80.0; | |
16 | cutoffRadius = 9.0; | |
17 | switchingRadius = 7.8; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |