--- trunk/OOPSE-2.0/samples/thermoIntegration/solid/ssde.md 2005/12/05 23:37:56 2488 +++ trunk/OOPSE-2.0/samples/thermoIntegration/solid/ssde.md 2005/12/06 16:49:59 2489 @@ -1,6 +1,6 @@ #include "water.md" -nComponents = 1; + component{ type = "SSD_E"; nMol = 1024; @@ -15,8 +15,8 @@ density = 0.0334; cutoffRadius = 9.0; switchingRadius = 7.7; -density = 0.0334; + targetTemp = 200; targetPressure = 1.0;