--- trunk/OOPSE/samples/water/ssd.bass 2003/11/05 19:18:17 851 +++ trunk/OOPSE/samples/water/ssd.bass 2004/01/07 19:26:12 905 @@ -8,7 +8,7 @@ ensemble = NPTf; initialConfig = "./init_ssd.eor"; -ensemble = NPTf; +ensemble = NVE; forceField = "DUFF"; useReactionField = "false"; dielectric = 80.0; @@ -24,7 +24,7 @@ runTime = 2e6; tauBarostat = 1e4; dt = 2.0; -runTime = 2e6; +runTime = 1e2; -sampleTime = 1e3; +sampleTime = 1; statusTime = 2;