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root/group/trunk/OOPSE-3.0/samples/water/spce/spce.md
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Comparing trunk/OOPSE-3.0/samples/water/spce/spce.md (file contents):
Revision 2338 by chrisfen, Wed Sep 28 18:47:01 2005 UTC vs.
Revision 2392 by chrisfen, Sun Oct 23 21:06:42 2005 UTC

# Line 10 | Line 10 | electrostaticSummationMethod = "none";
10  
11   ensemble = NVE;
12   forceField = "DUFF";
13 < electrostaticSummationMethod = "none";
14 < dielectric = 80.0;
13 > //electrostaticSummationMethod = "reaction_field";
14 > //dielectric = 80.0;
15   cutoffRadius = 9.0;
16   switchingRadius = 7.7;
17  
# Line 22 | Line 22 | runTime = 1e4;
22   tauBarostat = 1e4;
23  
24   dt = 2.0;
25 < runTime = 1e4;
25 > runTime = 5e2;
26   useInitialTime = "false";
27   useInitialExtendedSystemState = "false";
28  
29   //tempSet = "true";
30   //thermalTime = 10;
31 < sampleTime = 1000;
32 < statusTime = 100;
31 > sampleTime = 100;
32 > statusTime = 2;

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