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Comparing trunk/OOPSE-4/samples/water/ssde/water.md (file contents):
Revision 1490 by gezelter, Fri Sep 24 04:16:43 2004 UTC vs.
Revision 2220 by chrisfen, Thu May 5 14:47:35 2005 UTC

# Line 42 | Line 42 | molecule{
42   }
43  
44   molecule{
45 +  name = "SHED";
46 +  nAtoms = 1;
47 +  atom[0]{
48 +    type = "SHED";
49 +    position( 0.0, 0.0, 0.0 );
50 +    orientation( 0.0, 0.0, 0.0 );
51 +  }
52 + }
53 +
54 + molecule{
55    name = "TIP3P";
56    nAtoms = 3;
57    atom[0]{
# Line 103 | Line 113 | molecule{
113   }
114  
115   molecule{
116 +  name = "TIP4P-Ew";
117 +  nAtoms = 4;
118 +  atom[0]{
119 +    type = "O_TIP4P-Ew";
120 +    position( 0.0, 0.0, -0.06556 );
121 +  }
122 +  atom[1]{
123 +    type = "H_TIP4P-Ew";
124 +    position( 0.0, 0.75695, 0.52032 );
125 +  }
126 +  atom[2]{
127 +    type = "H_TIP4P-Ew";
128 +    position( 0.0, -0.75695, 0.52032 );
129 +  }
130 +  atom[3]{
131 +    type = "EP_TIP4P-Ew";
132 +    position( 0.0, 0.0, 0.05944 );
133 +  }
134 +  nRigidBodies = 1;
135 +  rigidBody[0]{
136 +    nMembers = 4;
137 +    members(0, 1, 2, 3);
138 +  }
139 +
140 +  nCutoffGroups = 1;
141 +  cutoffGroup[0]{
142 +    nMembers = 4;
143 +    members(0, 1, 2, 3);
144 +  }
145 + }
146 +
147 + molecule{
148    name = "TIP5P";
149    nAtoms = 5;
150    atom[0]{

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