| Revision: | 1334 |
| Committed: | Fri Jul 16 18:58:03 2004 UTC (20 years, 1 month ago) by gezelter |
| File size: | 411 byte(s) |
| Log Message: | Initial import of OOPSE-1.0 source tree |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1334 | #include "water.mdl" |
| 2 | #include "lipid.mdl" | ||
| 3 | |||
| 4 | nComponents = 2; | ||
| 5 | component{ | ||
| 6 | type = "simpleLipid_16"; | ||
| 7 | nMol = 25; | ||
| 8 | } | ||
| 9 | |||
| 10 | component{ | ||
| 11 | type = "SSD_water"; | ||
| 12 | nMol = 1386; | ||
| 13 | } | ||
| 14 | |||
| 15 | forceField = "DUFF"; | ||
| 16 | ensemble = NVE; | ||
| 17 | |||
| 18 | initialConfig = "init_5x5.eor"; | ||
| 19 | |||
| 20 | boxX = 34.503000; | ||
| 21 | boxY = 39.432000; | ||
| 22 | boxZ = 39.432000; | ||
| 23 | |||
| 24 | targetTemp = 300; | ||
| 25 | |||
| 26 | dt = 3.0; | ||
| 27 | runTime = 1000.0; | ||
| 28 | sampleTime = 100.0; | ||
| 29 | |||
| 30 | electrostaticCutoffRadius = 9.0; | ||
| 31 | dielectric = 80.0; |