--- trunk/OOPSE-4/samples/water/ssde/water.md 2005/04/29 16:26:27 2216 +++ trunk/OOPSE-4/samples/water/ssde/water.md 2005/05/05 14:47:35 2220 @@ -42,6 +42,16 @@ molecule{ } molecule{ + name = "SHED"; + nAtoms = 1; + atom[0]{ + type = "SHED"; + position( 0.0, 0.0, 0.0 ); + orientation( 0.0, 0.0, 0.0 ); + } +} + +molecule{ name = "TIP3P"; nAtoms = 3; atom[0]{