Revision: | 1687 |
Committed: | Fri Oct 29 22:27:49 2004 UTC (19 years, 9 months ago) by chrisfen |
File size: | 361 byte(s) |
Log Message: | shorter run |
# | Content |
---|---|
1 | molecule{ |
2 | name = "linear"; |
3 | nAtoms = 1; |
4 | atom[0]{ |
5 | type="linear"; |
6 | position( 0.0, 0.0, 0.0 ); |
7 | orientation( 0.0, 0.0, 1.0); |
8 | } |
9 | } |
10 | |
11 | nComponents = 1; |
12 | component{ |
13 | type = "linear"; |
14 | nMol = 2; |
15 | } |
16 | |
17 | initialConfig = "./linear.in"; |
18 | |
19 | forceField = "SHAPES"; |
20 | targetTemp = 119.8; |
21 | |
22 | ensemble = "NVE"; |
23 | dt = 1.0; |
24 | runTime = 1e1; |
25 | |
26 | sampleTime = 1; |
27 | statusTime = 1; |