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 |
# | User | Rev | Content |
---|---|---|---|
1 | gezelter | 1649 | molecule{ |
2 | name = "linear"; | ||
3 | nAtoms = 1; | ||
4 | atom[0]{ | ||
5 | type="linear"; | ||
6 | position( 0.0, 0.0, 0.0 ); | ||
7 | gezelter | 1671 | orientation( 0.0, 0.0, 1.0); |
8 | gezelter | 1649 | } |
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 | chrisfen | 1687 | runTime = 1e1; |
25 | gezelter | 1649 | |
26 | sampleTime = 1; | ||
27 | statusTime = 1; |