# | Line 10 | Line 10 | electrostaticSummationMethod = "shifted_force"; | |
---|---|---|
10 | ||
11 | ensemble = NVE; | |
12 | forceField = "DUFF"; | |
13 | < | electrostaticSummationMethod = "shifted_force"; |
13 | > | electrostaticSummationMethod = "none"; |
14 | //electrostaticScreeningMethod = "damped"; | |
15 | dielectric = 80.0; | |
16 | < | dampingAlpha = 0.25; |
16 | > | dampingAlpha = 0.15; |
17 | cutoffRadius = 9.0; | |
18 | //switchingRadius = 9.0; | |
19 | < | //switchingFunctionType = "fifth_order_polynomial"; |
19 | > | switchingFunctionType = "fifth_order_polynomial"; |
20 | ||
21 | targetTemp = 300; | |
22 | targetPressure = 1.0; |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |