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root/group/trunk/OOPSE-3.0/samples/water/ssd/water.md
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Comparing trunk/OOPSE-3.0/samples/water/ssd/water.md (file contents):
Revision 2489 by tim, Tue Dec 6 16:49:59 2005 UTC vs.
Revision 2777 by chrisfen, Thu May 25 21:40:57 2006 UTC

# Line 157 | Line 157 | molecule{
157    
158    atom[0]{
159      type = "O_TIP5P";
160 +    position( 0.0, 0.0, -0.06556 );
161 +  }
162 +  atom[1]{
163 +    type = "H_TIP5P";
164 +    position( 0.0, 0.75695, 0.52032 );
165 +  }
166 +  atom[2]{
167 +    type = "H_TIP5P";
168 +    position( 0.0, -0.75695, 0.52032 );
169 +  }
170 +  atom[3]{
171 +    type = "EP_TIP5P";
172 +    position( 0.57154, 0.0, -0.46971 );
173 +  }
174 +  atom[4]{
175 +    type = "EP_TIP5P";
176 +    position( -0.57154, 0.0, -0.46971 );
177 +  }
178 +  
179 +  rigidBody[0]{
180 +    
181 +    members(0, 1, 2, 3, 4);
182 +  }
183 +
184 +  
185 +  cutoffGroup{
186 +    
187 +    members(0, 1, 2, 3, 4);
188 +  }
189 + }
190 +
191 + molecule{
192 +  name = "TIP5P-E";
193 +  
194 +  atom[0]{
195 +    type = "O_TIP5P-E";
196      position( 0.0, 0.0, -0.06556 );
197    }
198    atom[1]{

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