Revision: | 482 |
Committed: | Tue Apr 8 22:38:43 2003 UTC (21 years, 3 months ago) by chuckv |
File size: | 318 byte(s) |
Log Message: | It works (kinda)... |
# | Content |
---|---|
1 | #include "water.mdl" |
2 | |
3 | nComponents = 1; |
4 | component{ |
5 | type = "SSD_water"; |
6 | nMol = 256; |
7 | } |
8 | |
9 | initialConfig = "./init_ssd.eor"; |
10 | |
11 | ensemble = NVE; |
12 | forceField = "TraPPE_Ex"; |
13 | useReactionField = "false"; |
14 | dielectric = 80.0; |
15 | |
16 | density = 0.0334; |
17 | |
18 | targetTemp = 300; |
19 | |
20 | dt = 2.0; |
21 | runTime = 250000; |
22 | |
23 | sampleTime = 1000; |
24 | statusTime = 500; |