# | Line 2 | Line 2 | component{ | |
---|---|---|
2 | ||
3 | nComponents = 2; | |
4 | component{ | |
5 | < | type = "TIP4P"; |
5 | > | type = "Cl-"; |
6 | nMol = 1; | |
7 | } | |
8 | component{ | |
9 | < | type = "Cl-"; |
9 | > | type = "SSD_E"; |
10 | nMol = 1; | |
11 | } | |
12 | ||
# | 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 |