| Revision: | 482 |
| Committed: | Tue Apr 8 22:38:43 2003 UTC (21 years, 3 months ago) by chuckv |
| File size: | 318 byte(s) |
| Log Message: | It works (kinda)... |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 397 | #include "water.mdl" |
| 2 | |||
| 3 | nComponents = 1; | ||
| 4 | component{ | ||
| 5 | type = "SSD_water"; | ||
| 6 | nMol = 256; | ||
| 7 | } | ||
| 8 | |||
| 9 | initialConfig = "./init_ssd.eor"; | ||
| 10 | |||
| 11 | ensemble = NVE; | ||
| 12 | forceField = "TraPPE_Ex"; | ||
| 13 | chuckv | 482 | useReactionField = "false"; |
| 14 | gezelter | 397 | dielectric = 80.0; |
| 15 | |||
| 16 | density = 0.0334; | ||
| 17 | |||
| 18 | targetTemp = 300; | ||
| 19 | |||
| 20 | dt = 2.0; | ||
| 21 | runTime = 250000; | ||
| 22 | |||
| 23 | sampleTime = 1000; | ||
| 24 | statusTime = 500; |