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; |