Revision: | 2293 |
Committed: | Thu Sep 15 00:11:18 2005 UTC (19 years ago) by chrisfen |
File size: | 291 byte(s) |
Log Message: | Equilibrated the sample |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1490 | #include "lj.md" |
2 | |||
3 | nComponents = 1; | ||
4 | component{ | ||
5 | type = "Ar"; | ||
6 | nMol = 500; | ||
7 | } | ||
8 | |||
9 | initialConfig = "./500.in"; | ||
10 | |||
11 | forceField = "LJ"; | ||
12 | targetTemp = 135.1344; | ||
13 | tauThermostat = 1e3; | ||
14 | |||
15 | chrisfen | 2293 | ensemble = "NVE"; |
16 | gezelter | 1490 | dt = 1.0; |
17 | chrisfen | 2293 | runTime = 1e4; |
18 | gezelter | 1490 | |
19 | sampleTime = 100; | ||
20 | statusTime = 1; | ||
21 | |||
22 | thermalTime = 1000.0; | ||
23 | tempSet = "false"; |