Revision: | 2229 |
Committed: | Tue May 17 22:35:01 2005 UTC (19 years, 3 months ago) by chrisfen |
File size: | 470 byte(s) |
Log Message: | Modifications to tap. Also correcting changes to the previous merge that were not caught |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 2092 | #include "water.md" |
2 | |||
3 | nComponents = 1; | ||
4 | component{ | ||
5 | type = "SSD_E"; | ||
6 | nMol = 2; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./ssd.in"; | ||
10 | |||
11 | |||
12 | chrisfen | 2224 | ensemble = NVT; |
13 | gezelter | 2092 | forceField = "WATER"; |
14 | useReactionField = "false"; | ||
15 | dielectric = 80.0; | ||
16 | cutoffRadius = 9.0; | ||
17 | switchingRadius = 7.8; | ||
18 | |||
19 | density = 0.0334; | ||
20 | |||
21 | chrisfen | 2229 | targetTemp = 0.1; |
22 | gezelter | 2092 | targetPressure = 1.0; |
23 | |||
24 | tauThermostat = 1e4; | ||
25 | tauBarostat = 1e4; | ||
26 | |||
27 | dt = 1.0; | ||
28 | chrisfen | 2229 | runTime = 1e4; |
29 | gezelter | 2092 | |
30 | sampleTime = 1e2; | ||
31 | statusTime = 10; | ||
32 | useInitialTime = "false"; | ||
33 | useInitialExtendedSystemState = "false"; |