| Revision: | 1415 |
| Committed: | Mon Jul 26 17:50:57 2004 UTC (21 years ago) by gezelter |
| File size: | 324 byte(s) |
| Log Message: | Fixing required keyword annoyances |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1399 | #include "water.mdl" |
| 2 | |||
| 3 | nComponents = 1; | ||
| 4 | component{ | ||
| 5 | type = "TIP4P"; | ||
| 6 | nMol = 2; | ||
| 7 | } | ||
| 8 | |||
| 9 | initialConfig = "./tip4p_two.in"; | ||
| 10 | |||
| 11 | minimizer = CG; | ||
| 12 | gezelter | 1402 | minimizerMaxIter = 5000; |
| 13 | minimizerWriteFrq = 1; | ||
| 14 | minimizerStepSize = 0.0001; | ||
| 15 | gezelter | 1399 | |
| 16 | forceField = "WATER"; | ||
| 17 | useReactionField = "false"; | ||
| 18 | dielectric = 80.0; | ||
| 19 | cutoffRadius = 12.0; | ||
| 20 | switchingRadius = 9.0; |