--- trunk/OOPSE-4/samples/water/ssde/ssde.md 2005/11/03 23:22:51 2416 +++ trunk/OOPSE-4/samples/water/ssde/ssde.md 2005/11/08 13:31:08 2417 @@ -10,7 +10,7 @@ electrostaticSummationMethod = "none"; ensemble = NVE; forceField = "DUFF"; -electrostaticSummationMethod = "none"; +electrostaticSummationMethod = "shifted_potential"; dielectric = 80.0; cutoffRadius = 9.0; switchingRadius = 7.7; @@ -22,11 +22,11 @@ runTime = 5e3; tauBarostat = 1e4; dt = 2.0; -runTime = 5e3; +runTime = 1e3; useInitialTime = "false"; useInitialExtendedSystemState = "false"; //tempSet = "true"; //thermalTime = 10; sampleTime = 100; -statusTime = 10; +statusTime = 2;