--- trunk/OOPSE-3.0/samples/water/dimer/water.md 2005/03/08 21:05:18 2083 +++ trunk/OOPSE-3.0/samples/water/dimer/water.md 2005/03/08 21:05:31 2084 @@ -2,6 +2,15 @@ molecule{ #define _WATER_MD_ molecule{ + name = "Cl"; + nAtoms = 1; + atom[0]{ + type = "Cl"; + position(0.0, 0.0, 0.0); + } +} + +molecule{ name = "SSD_E"; nAtoms = 1; atom[0]{