| # | Line 7 | Line 7 | component{ | |
|---|---|---|
| 7 | nMol =1; | |
| 8 | } | |
| 9 | component{ | |
| 10 | < | type = "linear"; |
| 10 | > | type = "GBlinear"; |
| 11 | nMol = 1; | |
| 12 | } | |
| 13 | ||
| 14 | ||
| 15 | initialConfig = "./gbRotRoundY.in"; | |
| 16 | ||
| 17 | < | ensemble = NVT; |
| 17 | > | ensemble = NVE; |
| 18 | targetTemp = 1; | |
| 19 | tauThermostat = 1000; | |
| 20 | forceField = "DUFF"; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |