164 |
|
} |
165 |
|
|
166 |
|
molecule{ |
167 |
+ |
name = "SPC"; |
168 |
+ |
nAtoms = 3; |
169 |
+ |
atom[0]{ |
170 |
+ |
type = "O_SPC"; |
171 |
+ |
position( 0.0, 0.0, -0.06461 ); |
172 |
+ |
} |
173 |
+ |
atom[1]{ |
174 |
+ |
type = "H_SPC"; |
175 |
+ |
position( 0.0, 0.81649, 0.51275 ); |
176 |
+ |
} |
177 |
+ |
atom[2]{ |
178 |
+ |
type = "H_SPC"; |
179 |
+ |
position( 0.0, -0.81649, 0.51275 ); |
180 |
+ |
} |
181 |
+ |
nRigidBodies = 1; |
182 |
+ |
rigidBody[0]{ |
183 |
+ |
nMembers = 3; |
184 |
+ |
members(0, 1, 2); |
185 |
+ |
} |
186 |
+ |
|
187 |
+ |
nCutoffGroups = 1; |
188 |
+ |
cutoffGroup[0]{ |
189 |
+ |
nMembers = 3; |
190 |
+ |
members(0, 1, 2); |
191 |
+ |
} |
192 |
+ |
} |
193 |
+ |
|
194 |
+ |
molecule{ |
195 |
|
name = "DPD"; |
196 |
|
nAtoms = 1; |
197 |
|
atom[0]{ |