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root/group/trunk/OOPSE-2.0/samples/water/spce/spce.md
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Comparing trunk/OOPSE-2.0/samples/water/spce/spce.md (file contents):
Revision 2436 by chrisfen, Tue Nov 15 16:37:51 2005 UTC vs.
Revision 2437 by chrisfen, Tue Nov 15 19:03:39 2005 UTC

# Line 10 | Line 10 | electrostaticSummationMethod = "shifted_potential";
10  
11   ensemble = NVE;
12   forceField = "DUFF";
13 < electrostaticSummationMethod = "shifted_potential";
13 > electrostaticSummationMethod = "shifted_force";
14   //electrostaticScreeningMethod = "damped";
15   dielectric = 80.0;
16   dampingAlpha = 0.25;
17   cutoffRadius = 9.0;
18 < switchingRadius = 9.0;
18 > //switchingRadius = 9.0;
19   //switchingFunctionType = "fifth_order_polynomial";
20  
21   targetTemp = 300;
# Line 25 | Line 25 | runTime = 5e3;
25   tauBarostat = 1e4;
26  
27   dt = 2.0;
28 < runTime = 5e3;
28 > runTime = 1e3;
29   useInitialTime = "false";
30   useInitialExtendedSystemState = "false";
31  

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