--- trunk/OOPSE-4/samples/water/ssde/water.md 2004/09/24 04:16:43 1490 +++ trunk/OOPSE-4/samples/water/ssde/water.md 2005/04/29 16:26:27 2216 @@ -103,6 +103,38 @@ molecule{ } molecule{ + name = "TIP4P-Ew"; + nAtoms = 4; + atom[0]{ + type = "O_TIP4P-Ew"; + position( 0.0, 0.0, -0.06556 ); + } + atom[1]{ + type = "H_TIP4P-Ew"; + position( 0.0, 0.75695, 0.52032 ); + } + atom[2]{ + type = "H_TIP4P-Ew"; + position( 0.0, -0.75695, 0.52032 ); + } + atom[3]{ + type = "EP_TIP4P-Ew"; + position( 0.0, 0.0, 0.05944 ); + } + nRigidBodies = 1; + rigidBody[0]{ + nMembers = 4; + members(0, 1, 2, 3); + } + + nCutoffGroups = 1; + cutoffGroup[0]{ + nMembers = 4; + members(0, 1, 2, 3); + } +} + +molecule{ name = "TIP5P"; nAtoms = 5; atom[0]{