Revision: | 2489 |
Committed: | Tue Dec 6 16:49:59 2005 UTC (18 years, 9 months ago) by tim |
File size: | 529 byte(s) |
Log Message: | remove deprecated keywords from samples |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2092 | #include "water.md" |
2 | |||
3 | tim | 2489 | |
4 | gezelter | 2092 | component{ |
5 | chrisfen | 2294 | type = "Cl-"; |
6 | gezelter | 2092 | nMol = 1; |
7 | } | ||
8 | component{ | ||
9 | chrisfen | 2294 | type = "SSD_E"; |
10 | gezelter | 2092 | nMol = 1; |
11 | } | ||
12 | |||
13 | initialConfig = "./cl.in"; | ||
14 | |||
15 | |||
16 | ensemble = NVT; | ||
17 | chrisfen | 2326 | forceField = "DUFF"; |
18 | chrisfen | 2338 | electrostaticSummationMethod = "none"; |
19 | gezelter | 2092 | dielectric = 80.0; |
20 | cutoffRadius = 9.0; | ||
21 | switchingRadius = 7.8; | ||
22 | |||
23 | |||
24 | tim | 2489 | |
25 | gezelter | 2092 | targetTemp = 0.001; |
26 | targetPressure = 1.0; | ||
27 | |||
28 | tauThermostat = 1e4; | ||
29 | tauBarostat = 1e4; | ||
30 | |||
31 | dt = 1.0; | ||
32 | chrisfen | 2155 | runTime = 1e3; |
33 | gezelter | 2092 | |
34 | chrisfen | 2155 | sampleTime = 10; |
35 | statusTime = 1; | ||
36 | gezelter | 2092 | useInitialTime = "false"; |
37 | useInitialExtendedSystemState = "false"; | ||
38 | chrisfen | 2155 | |
39 | //tempSet = "true"; | ||
40 | //thermalTime = 100; |