--- trunk/OOPSE-3.0/samples/water/spce/water.md 2006/05/25 21:40:57 2777 +++ trunk/OOPSE-3.0/samples/water/spce/water.md 2006/07/19 12:46:20 2955 @@ -56,7 +56,29 @@ molecule{ type = "SSD1"; position( 0.0, 0.0, 0.0 ); orientation( 0.0, 0.0, 0.0 ); + } +} + +molecule{ + name = "TRED"; + + atom[0]{ + type = "TRED"; + position( 0.0, 0.0, 0.0 ); + orientation( 0.0, 0.0, 0.0 ); + } + atom[1]{ + type = "EP_TRED"; + position( 0.0, 0.0, 0.5 ); } + + rigidBody[0]{ + members(0, 1); + } + + cutoffGroup{ + members(0, 1); + } } molecule{