| Revision: | 790 |
| Committed: | Tue Dec 6 16:49:59 2005 UTC (19 years, 7 months ago) by tim |
| File size: | 448 byte(s) |
| Log Message: | remove deprecated keywords from samples |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 2 | #include "water.md" |
| 2 | |||
| 3 | tim | 790 | |
| 4 | gezelter | 2 | component{ |
| 5 | type = "TIP4P"; | ||
| 6 | nMol = 2; | ||
| 7 | } | ||
| 8 | |||
| 9 | initialConfig = "./two.in"; | ||
| 10 | |||
| 11 | |||
| 12 | ensemble = NVT; | ||
| 13 | chrisfen | 627 | forceField = "DUFF"; |
| 14 | chrisfen | 639 | electrostaticSummationMethod = "none"; |
| 15 | gezelter | 2 | dielectric = 80.0; |
| 16 | cutoffRadius = 9.0; | ||
| 17 | chrisfen | 643 | switchingRadius = 7.7; |
| 18 | gezelter | 2 | |
| 19 | |||
| 20 | tim | 790 | |
| 21 | gezelter | 2 | targetTemp = 0.001; |
| 22 | targetPressure = 1.0; | ||
| 23 | |||
| 24 | tauThermostat = 1e4; | ||
| 25 | tauBarostat = 1e4; | ||
| 26 | |||
| 27 | dt = 1.0; | ||
| 28 | chrisfen | 643 | runTime = 1e4; |
| 29 | gezelter | 2 | |
| 30 | gezelter | 400 | sampleTime = 1e2; |
| 31 | chrisfen | 643 | statusTime = 1; |
| 32 | gezelter | 2 | useInitialTime = "false"; |
| 33 | useInitialExtendedSystemState = "false"; |