--- trunk/OOPSE-3.0/samples/water/dimer/cl.in 2005/04/12 18:30:37 2172 +++ trunk/OOPSE-3.0/samples/water/dimer/cl.in 2005/04/12 20:56:20 2173 @@ -1,4 +1,4 @@ 2 1000; 59.7166 0 0; 0 59.7166 0; 0 0 59.7166; 0.0385672 36.2096 ;0 0 0; 0 0 0; 0 0 0; -SSD_E 1.817450 -1.440934 0.945913 -0.000000 -0.000000 0.000000 0.283151 -0.651159 -0.587958 -0.387457 -0.000000 -0.000000 0.000000 +TIP4P_RB_0 1.817450 -1.440934 0.945913 -0.000000 -0.000000 0.000000 0.283151 -0.651159 -0.587958 -0.387457 -0.000000 -0.000000 0.000000 Cl- 4.596242 0.717716 -0.489407 0.000000 0.000000 -0.000000 0.0 0.0 0.0 0.0 0.0 0.0 0.0