Revision: | 2480 |
Committed: | Fri Dec 2 22:37:05 2005 UTC (18 years, 8 months ago) by gezelter |
File size: | 374 byte(s) |
Log Message: | removing deprecated nAtoms and nComponents lines |
# | Content |
---|---|
1 | #include "lj.md" |
2 | |
3 | component{ |
4 | type = "Kr"; |
5 | nMol = 9; |
6 | } |
7 | component{ |
8 | type = "He"; |
9 | nMol = 855; |
10 | } |
11 | |
12 | initialConfig = "./cutoff_test.in"; |
13 | cutoffPolicy = "mix"; |
14 | |
15 | forceField = "LJ"; |
16 | targetTemp = 5; |
17 | targetPressure = 1; |
18 | tauThermostat = 1e3; |
19 | tauBarostat = 1e3; |
20 | |
21 | ensemble = "NVE"; |
22 | dt = 2; |
23 | runTime = 1e5; |
24 | |
25 | sampleTime = 100; |
26 | statusTime = 1; |
27 | |
28 | thermalTime = 1000.0; |
29 | tempSet = "false"; |