# | Line 9 | Line 9 | ensemble = NVT; | |
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9 | initialConfig = "./ssd.in"; | |
10 | ||
11 | ||
12 | < | ensemble = NVT; |
12 | > | ensemble = NVE; |
13 | forceField = "WATER"; | |
14 | useReactionField = "false"; | |
15 | dielectric = 80.0; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |