| Revision: | 2489 |
| Committed: | Tue Dec 6 16:49:59 2005 UTC (18 years, 6 months ago) by tim |
| File size: | 492 byte(s) |
| Log Message: | remove deprecated keywords from samples |
| # | Content |
|---|---|
| 1 | #include "water.md" |
| 2 | |
| 3 | |
| 4 | component{ |
| 5 | type = "TIP4P"; |
| 6 | nMol = 1; |
| 7 | } |
| 8 | component{ |
| 9 | type = "SSD_E"; |
| 10 | nMol = 1; |
| 11 | } |
| 12 | |
| 13 | initialConfig = "./mix.in"; |
| 14 | |
| 15 | |
| 16 | ensemble = NVT; |
| 17 | forceField = "DUFF"; |
| 18 | electrostaticSummationMethod = "none"; |
| 19 | dielectric = 80.0; |
| 20 | cutoffRadius = 9.0; |
| 21 | switchingRadius = 7.8; |
| 22 | |
| 23 | |
| 24 | |
| 25 | targetTemp = 0.001; |
| 26 | targetPressure = 1.0; |
| 27 | |
| 28 | tauThermostat = 1e4; |
| 29 | tauBarostat = 1e4; |
| 30 | |
| 31 | dt = 1.0; |
| 32 | runTime = 1e5; |
| 33 | |
| 34 | sampleTime = 1e2; |
| 35 | statusTime = 10; |
| 36 | useInitialTime = "false"; |
| 37 | useInitialExtendedSystemState = "false"; |