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 |
# | Content |
---|---|
1 | #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 | ensemble = "NVE"; |
16 | dt = 1.0; |
17 | runTime = 1e4; |
18 | |
19 | sampleTime = 100; |
20 | statusTime = 1; |
21 | |
22 | thermalTime = 1000.0; |
23 | tempSet = "false"; |