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