--- trunk/OOPSE-3.0/samples/water/ssd/water.md 2004/09/24 04:16:43 1490 +++ trunk/OOPSE-3.0/samples/water/ssd/water.md 2005/04/08 14:42:27 2152 @@ -2,6 +2,24 @@ molecule{ #define _WATER_MD_ molecule{ + name = "Cl-"; + nAtoms = 1; + atom[0]{ + type = "Cl-"; + position(0.0, 0.0, 0.0); + } +} + +molecule{ + name = "Na+"; + nAtoms = 1; + atom[0]{ + type = "Na+"; + position(0.0, 0.0, 0.0); + } +} + +molecule{ name = "SSD_E"; nAtoms = 1; atom[0]{