Revision: | 2514 |
Committed: | Fri Dec 16 15:53:16 2005 UTC (18 years, 9 months ago) by gezelter |
File size: | 338 byte(s) |
Log Message: | Removed one parasitic argon atom which was living inside the GB particle. No alien-like ripping out of the stomach was required. |
# | Content |
---|---|
1 | #include "gb.md" |
2 | #include "lj.md" |
3 | |
4 | component{ |
5 | type = "linear"; |
6 | nMol = 1; |
7 | } |
8 | component{ |
9 | type = "Ar"; |
10 | nMol =862; |
11 | } |
12 | |
13 | |
14 | initialConfig = "./gb-ar.in"; |
15 | |
16 | ensemble = NVE; |
17 | forceField = "DUFF"; |
18 | cutoffPolicy = "mix"; |
19 | |
20 | dt = 1; |
21 | runTime = 1e4; |
22 | useInitialTime = "false"; |
23 | useInitialExtendedSystemState = "false"; |
24 | |
25 | sampleTime = 100; |
26 | statusTime = 1; |