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root/OpenMD/branches/development/samples/water/dimer/two.md
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Comparing trunk/samples/water/dimer/two.md (file contents):
Revision 2 by gezelter, Fri Sep 24 04:16:43 2004 UTC vs.
Revision 643 by chrisfen, Tue Oct 4 19:32:58 2005 UTC

# Line 10 | Line 10 | ensemble = NVT;
10  
11  
12   ensemble = NVT;
13 < forceField = "WATER";
14 < useReactionField = "false";
13 > forceField = "DUFF";
14 > electrostaticSummationMethod = "none";
15   dielectric = 80.0;
16   cutoffRadius = 9.0;
17 < switchingRadius = 7.8;
17 > switchingRadius = 7.7;
18  
19   density = 0.0334;
20  
# Line 25 | Line 25 | dt = 1.0;
25   tauBarostat = 1e4;
26  
27   dt = 1.0;
28 < runTime = 1e5;
28 > runTime = 1e4;
29  
30 < sampleTime = 3e4;
30 > sampleTime = 1e2;
31   statusTime = 1;
32   useInitialTime = "false";
33   useInitialExtendedSystemState = "false";

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