# | Line 13 | Line 13 | cutoffRadius = 9.0; | |
---|---|---|
13 | targetTemp = 178.5; | |
14 | tauThermostat = 1e3; | |
15 | cutoffRadius = 9.0; | |
16 | < | switchingRadius = 7.65; |
17 | < | cutoffMethod = "SWITCHED"; |
16 | > | switchingRadius = 9.0; |
17 | > | cutoffMethod = "SHIFTED_FORCE"; |
18 | skinThickness = 1.0; | |
19 | ||
20 | ensemble = "NVE"; | |
21 | dt = 1.0; | |
22 | < | runTime = 1e4; |
22 | > | runTime = 1; |
23 | ||
24 | sampleTime = 50000; | |
25 | statusTime = 10; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |