# | Line 12 | Line 12 | ensemble = "NVT"; | |
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12 | targetTemp = 135.1344; | |
13 | tauThermostat = 1e3; | |
14 | ||
15 | < | ensemble = "NVT"; |
15 | > | ensemble = "NVE"; |
16 | dt = 1.0; | |
17 | < | runTime = 1e5; |
17 | > | runTime = 1e4; |
18 | ||
19 | sampleTime = 100; | |
20 | statusTime = 1; |
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