# | Line 8 | Line 8 | ensemble = NPTi; | |
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8 | ||
9 | initialConfig = "./ssde.in"; | |
10 | ||
11 | < | ensemble = NPTi; |
11 | > | ensemble = NVE; |
12 | forceField = "DUFF"; | |
13 | electrostaticSummationMethod = "shifted_potential"; | |
14 | dielectric = 80.0; | |
# | Line 22 | Line 22 | runTime = 1e4; | |
22 | tauBarostat = 1e4; | |
23 | ||
24 | dt = 2.0; | |
25 | < | runTime = 1e4; |
25 | > | runTime = 3e3; |
26 | useInitialTime = "false"; | |
27 | useInitialExtendedSystemState = "false"; | |
28 |
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