| 75 |
|
rigidBody[0]{ |
| 76 |
|
members(0, 1); |
| 77 |
|
} |
| 78 |
– |
|
| 79 |
– |
cutoffGroup{ |
| 80 |
– |
members(0, 1); |
| 81 |
– |
} |
| 78 |
|
} |
| 79 |
|
|
| 80 |
|
molecule{ |
| 92 |
|
type = "H_TIP3P"; |
| 93 |
|
position( 0.0, -0.75695, 0.52032 ); |
| 94 |
|
} |
| 99 |
– |
|
| 95 |
|
|
| 96 |
< |
rigidBody[0]{ |
| 102 |
< |
|
| 96 |
> |
rigidBody[0]{ |
| 97 |
|
members(0, 1, 2); |
| 98 |
< |
} |
| 105 |
< |
|
| 106 |
< |
|
| 107 |
< |
cutoffGroup{ |
| 108 |
< |
|
| 109 |
< |
members(0, 1, 2); |
| 110 |
< |
} |
| 98 |
> |
} |
| 99 |
|
} |
| 100 |
|
|
| 101 |
|
molecule{ |
| 118 |
|
position( 0.0, 0.0, 0.08444 ); |
| 119 |
|
} |
| 120 |
|
|
| 121 |
< |
rigidBody[0]{ |
| 134 |
< |
|
| 121 |
> |
rigidBody[0]{ |
| 122 |
|
members(0, 1, 2, 3); |
| 123 |
< |
} |
| 137 |
< |
|
| 138 |
< |
|
| 139 |
< |
cutoffGroup{ |
| 140 |
< |
|
| 141 |
< |
members(0, 1, 2, 3); |
| 142 |
< |
} |
| 123 |
> |
} |
| 124 |
|
} |
| 125 |
|
|
| 126 |
|
molecule{ |
| 143 |
|
position( 0.0, 0.0, 0.05944 ); |
| 144 |
|
} |
| 145 |
|
|
| 146 |
< |
rigidBody[0]{ |
| 166 |
< |
|
| 146 |
> |
rigidBody[0]{ |
| 147 |
|
members(0, 1, 2, 3); |
| 148 |
|
} |
| 169 |
– |
|
| 170 |
– |
|
| 171 |
– |
cutoffGroup{ |
| 172 |
– |
|
| 173 |
– |
members(0, 1, 2, 3); |
| 174 |
– |
} |
| 149 |
|
} |
| 150 |
|
|
| 151 |
|
molecule{ |
| 173 |
|
} |
| 174 |
|
|
| 175 |
|
rigidBody[0]{ |
| 202 |
– |
|
| 203 |
– |
members(0, 1, 2, 3, 4); |
| 204 |
– |
} |
| 205 |
– |
|
| 206 |
– |
|
| 207 |
– |
cutoffGroup{ |
| 208 |
– |
|
| 176 |
|
members(0, 1, 2, 3, 4); |
| 177 |
|
} |
| 178 |
|
} |
| 201 |
|
position( -0.57154, 0.0, -0.46971 ); |
| 202 |
|
} |
| 203 |
|
|
| 204 |
< |
rigidBody[0]{ |
| 238 |
< |
|
| 204 |
> |
rigidBody[0]{ |
| 205 |
|
members(0, 1, 2, 3, 4); |
| 206 |
|
} |
| 241 |
– |
|
| 242 |
– |
|
| 243 |
– |
cutoffGroup{ |
| 244 |
– |
|
| 245 |
– |
members(0, 1, 2, 3, 4); |
| 246 |
– |
} |
| 207 |
|
} |
| 208 |
|
|
| 209 |
|
molecule{ |
| 210 |
|
name = "SPCE"; |
| 211 |
|
|
| 212 |
|
atom[0]{ |
| 213 |
< |
type = "O"; |
| 213 |
> |
type = "O_SPCE"; |
| 214 |
|
position( 0.0, 0.0, -0.06461 ); |
| 215 |
|
} |
| 216 |
|
atom[1]{ |
| 217 |
< |
type = "H"; |
| 217 |
> |
type = "H_SPCE"; |
| 218 |
|
position( 0.0, 0.81649, 0.51275 ); |
| 219 |
|
} |
| 220 |
|
atom[2]{ |
| 221 |
< |
type = "H"; |
| 221 |
> |
type = "H_SPCE"; |
| 222 |
|
position( 0.0, -0.81649, 0.51275 ); |
| 223 |
|
} |
| 224 |
|
|
| 225 |
< |
rigidBody[0]{ |
| 266 |
< |
|
| 225 |
> |
rigidBody[0]{ |
| 226 |
|
members(0, 1, 2); |
| 227 |
|
} |
| 269 |
– |
|
| 270 |
– |
|
| 271 |
– |
cutoffGroup{ |
| 272 |
– |
|
| 273 |
– |
members(0, 1, 2); |
| 274 |
– |
} |
| 228 |
|
} |
| 229 |
|
|
| 230 |
|
molecule{ |
| 243 |
|
position( 0.0, -0.81649, 0.51275 ); |
| 244 |
|
} |
| 245 |
|
|
| 246 |
< |
rigidBody[0]{ |
| 294 |
< |
|
| 246 |
> |
rigidBody[0]{ |
| 247 |
|
members(0, 1, 2); |
| 248 |
|
} |
| 297 |
– |
|
| 298 |
– |
|
| 299 |
– |
cutoffGroup{ |
| 300 |
– |
|
| 301 |
– |
members(0, 1, 2); |
| 302 |
– |
} |
| 249 |
|
} |
| 250 |
|
|
| 251 |
|
molecule{ |
