--- trunk/samples/dipole/split_SSD.md 2005/03/10 18:44:02 422 +++ trunk/samples/dipole/split_SSD.md 2005/12/06 16:49:59 790 @@ -1,7 +1,7 @@ #include "splitDipole.md" #include "water.md" -nComponents = 2; + component{ type = "HEAD"; nMol = 1; @@ -18,17 +18,17 @@ forceFieldFileName = "Lipid.frc"; ensemble = NVT; forceField = "DUFF"; forceFieldFileName = "Lipid.frc"; -useReactionField = "false"; +electrostaticSummationMethod = "none"; dielectric = 80.0; cutoffRadius = 9.0; switchingRadius = 7.8; -density = 0.0334; -targetTemp = 0.001; + +targetTemp = 100.0; targetPressure = 1.0; -tauThermostat = 1e4; +tauThermostat = 1e3; tauBarostat = 1e4; dt = 1.0;