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root/group/trunk/OOPSE-4/samples/water/dimer/ssd.md
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Comparing trunk/OOPSE-4/samples/water/dimer/ssd.md (file contents):
Revision 2155 by chrisfen, Fri Apr 8 22:12:52 2005 UTC vs.
Revision 2224 by chrisfen, Thu May 12 19:43:48 2005 UTC

# Line 9 | Line 9 | ensemble = NVE;
9   initialConfig = "./ssd.in";
10  
11  
12 < ensemble = NVE;
12 > ensemble = NVT;
13   forceField = "WATER";
14   useReactionField = "false";
15   dielectric = 80.0;
# Line 25 | Line 25 | runTime = 1e5;
25   tauBarostat = 1e4;
26  
27   dt = 1.0;
28 < runTime = 1e5;
28 > runTime = 1e3;
29  
30   sampleTime = 1e2;
31   statusTime = 10;

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