Revision: | 397 |
Committed: | Tue Mar 25 01:06:10 2003 UTC (21 years, 5 months ago) by gezelter |
File size: | 394 byte(s) |
Log Message: | moved tests to samples |
# | Content |
---|---|
1 | #include "water.mdl" |
2 | #include "lipid.mdl" |
3 | |
4 | nComponents = 2; |
5 | component{ |
6 | type = "simpleLipid_16"; |
7 | nMol = 25; |
8 | } |
9 | |
10 | component{ |
11 | type = "SSD_water"; |
12 | nMol = 1386; |
13 | } |
14 | |
15 | forceField = "TraPPE_Ex"; |
16 | ensemble = NVE; |
17 | |
18 | initialConfig = "init_5x5.eor"; |
19 | |
20 | boxX = 34.503000; |
21 | boxY = 39.432000; |
22 | boxZ = 39.432000; |
23 | |
24 | targetTemp = 300; |
25 | |
26 | dt = 3.0; |
27 | runTime = 1000.0; |
28 | sampleTime = 100.0; |
29 | |
30 | rRF = 9.0; |
31 | dielectric = 80.0; |