Revision: | 1490 |
Committed: | Fri Sep 24 04:16:43 2004 UTC (19 years, 11 months ago) by gezelter |
File size: | 401 byte(s) |
Log Message: | Import of OOPSE v. 2.0 |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1490 | #include "water.md" |
2 | |||
3 | nComponents = 1; | ||
4 | component{ | ||
5 | type = "SSD"; | ||
6 | nMol = 256; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./ssd.in"; | ||
10 | |||
11 | ensemble = NPTi; | ||
12 | forceField = "DUFF"; | ||
13 | useReactionField = "false"; | ||
14 | dielectric = 80.0; | ||
15 | cutoffRadius = 9.0; | ||
16 | switchingRadius = 7.8; | ||
17 | |||
18 | density = 0.0334; | ||
19 | |||
20 | targetTemp = 300; | ||
21 | targetPressure = 1.0; | ||
22 | |||
23 | tauThermostat = 1e3; | ||
24 | tauBarostat = 1e4; | ||
25 | |||
26 | dt = 2.0; | ||
27 | runTime = 1e3; | ||
28 | |||
29 | sampleTime = 200; | ||
30 | statusTime = 2; |