# | Line 8 | Line 8 | ensemble = NPTi; | |
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8 | ||
9 | initialConfig = "./init_ssd.eor"; | |
10 | ||
11 | < | ensemble = NPTi; |
11 | > | ensemble = NPTf; |
12 | forceField = "DUFF"; | |
13 | useReactionField = "false"; | |
14 | dielectric = 80.0; | |
15 | + | electrostaticCutoffRadius = 9.0; |
16 | + | electrostaticSkinThickness = 1.2; |
17 | ||
18 | density = 0.0334; | |
19 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |