| # | Line 11 | Line 11 | minimizerMaxIter = 5000; | |
|---|---|---|
| 11 | ||
| 12 | minimizer = CG; | |
| 13 | minimizerMaxIter = 5000; | |
| 14 | < | minimizerWriteFrq = 1; |
| 15 | < | minimizerStepSize = 0.0001; |
| 14 | > | minimizerWriteFreq = 10; |
| 15 | > | minimizerStepSize = 0.05; |
| 16 | ||
| 17 | forceField = "DUFF"; | |
| 18 | electrostaticSummationMethod = "none"; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |