--- trunk/OOPSE-4/samples/water/dimer/ssd.md 2005/04/08 22:12:52 2155 +++ trunk/OOPSE-4/samples/water/dimer/ssd.md 2005/05/12 19:43:48 2224 @@ -9,7 +9,7 @@ ensemble = NVE; initialConfig = "./ssd.in"; -ensemble = NVE; +ensemble = NVT; forceField = "WATER"; useReactionField = "false"; dielectric = 80.0; @@ -25,7 +25,7 @@ runTime = 1e5; tauBarostat = 1e4; dt = 1.0; -runTime = 1e5; +runTime = 1e3; sampleTime = 1e2; statusTime = 10;