--- trunk/OOPSE-2.0/samples/water/dimer/cl.md 2005/04/08 18:48:04 2154 +++ trunk/OOPSE-2.0/samples/water/dimer/cl.md 2005/04/08 22:12:52 2155 @@ -2,7 +2,7 @@ component{ nComponents = 2; component{ - type = "SSD"; + type = "SSD_E"; nMol = 1; } component{ @@ -29,9 +29,12 @@ runTime = 1e5; tauBarostat = 1e4; dt = 1.0; -runTime = 1e5; +runTime = 1e3; -sampleTime = 1e2; -statusTime = 10; +sampleTime = 10; +statusTime = 1; useInitialTime = "false"; useInitialExtendedSystemState = "false"; + +//tempSet = "true"; +//thermalTime = 100;