1 |
gezelter |
1334 |
molecule{ |
2 |
|
|
|
3 |
|
|
name = "simpleLipid_16"; |
4 |
|
|
nAtoms = 17; |
5 |
|
|
|
6 |
|
|
atom[0]{ |
7 |
|
|
type = "HEAD"; |
8 |
|
|
position( 0.0, 1.01479, 0.65901 ); |
9 |
|
|
orientation( 0.0, 0.0, 0.0 ); |
10 |
|
|
} |
11 |
|
|
atom[1]{ |
12 |
|
|
type = "CH2"; |
13 |
|
|
position( 0.0, -0.8387, -1.292 ); |
14 |
|
|
} |
15 |
|
|
atom[2]{ |
16 |
|
|
type = "CH2"; |
17 |
|
|
position( 0.0, 0.0, -2.584 ); |
18 |
|
|
} |
19 |
|
|
atom[3]{ |
20 |
|
|
type = "CH2"; |
21 |
|
|
position( 0.0, -0.8387, -3.876 ); |
22 |
|
|
} |
23 |
|
|
atom[4]{ |
24 |
|
|
type = "CH2"; |
25 |
|
|
position( 0.0, 0.0, -5.168 ); |
26 |
|
|
} |
27 |
|
|
atom[5]{ |
28 |
|
|
type = "CH2"; |
29 |
|
|
position( 0.0, -0.8387, -6.46 ); |
30 |
|
|
} |
31 |
|
|
atom[6]{ |
32 |
|
|
type = "CH2"; |
33 |
|
|
position( 0.0, 0.0, -7.752 ); |
34 |
|
|
} |
35 |
|
|
atom[7]{ |
36 |
|
|
type = "CH2"; |
37 |
|
|
position( 0.0, -0.8387, -9.044 ); |
38 |
|
|
} |
39 |
|
|
atom[8]{ |
40 |
|
|
type = "CH2"; |
41 |
|
|
position( 0.0, 0.0, -10.336 ); |
42 |
|
|
} |
43 |
|
|
atom[9]{ |
44 |
|
|
type = "CH2"; |
45 |
|
|
position( 0.0, -0.8387, -11.628 ); |
46 |
|
|
} |
47 |
|
|
atom[10]{ |
48 |
|
|
type = "CH2"; |
49 |
|
|
position( 0.0, 0.0, -12.92 ); |
50 |
|
|
} |
51 |
|
|
atom[11]{ |
52 |
|
|
type = "CH2"; |
53 |
|
|
position( 0.0, -0.8387, -14.212 ); |
54 |
|
|
} |
55 |
|
|
atom[12]{ |
56 |
|
|
type = "CH2"; |
57 |
|
|
position( 0.0, 0.0, -15.504 ); |
58 |
|
|
} |
59 |
|
|
atom[13]{ |
60 |
|
|
type = "CH2"; |
61 |
|
|
position( 0.0, -0.8387, -16.796 ); |
62 |
|
|
} |
63 |
|
|
atom[14]{ |
64 |
|
|
type = "CH2"; |
65 |
|
|
position( 0.0, 0.0, -18.08 ); |
66 |
|
|
} |
67 |
|
|
atom[15]{ |
68 |
|
|
type = "CH2"; |
69 |
|
|
position( 0.0, -0.8387, -19.38 ); |
70 |
|
|
} |
71 |
|
|
atom[16]{ |
72 |
|
|
type = "CH3"; |
73 |
|
|
position( 0.0, 0.0, -20.672 ); |
74 |
|
|
} |
75 |
|
|
|
76 |
|
|
nBonds = 16; |
77 |
|
|
|
78 |
|
|
bond[0]{ |
79 |
|
|
members( 0, 1 ); |
80 |
|
|
} |
81 |
|
|
bond[1]{ |
82 |
|
|
members( 1, 2 ); |
83 |
|
|
} |
84 |
|
|
bond[2]{ |
85 |
|
|
members( 2, 3 ); |
86 |
|
|
} |
87 |
|
|
bond[3]{ |
88 |
|
|
members( 3, 4 ); |
89 |
|
|
} |
90 |
|
|
bond[4]{ |
91 |
|
|
members( 4, 5 ); |
92 |
|
|
} |
93 |
|
|
bond[5]{ |
94 |
|
|
members( 5, 6 ); |
95 |
|
|
} |
96 |
|
|
bond[6]{ |
97 |
|
|
members( 6, 7 ); |
98 |
|
|
} |
99 |
|
|
bond[7]{ |
100 |
|
|
members( 7, 8 ); |
101 |
|
|
} |
102 |
|
|
bond[8]{ |
103 |
|
|
members( 8, 9 ); |
104 |
|
|
} |
105 |
|
|
bond[9]{ |
106 |
|
|
members( 9, 10 ); |
107 |
|
|
} |
108 |
|
|
bond[10]{ |
109 |
|
|
members( 10, 11 ); |
110 |
|
|
} |
111 |
|
|
bond[11]{ |
112 |
|
|
members( 11, 12 ); |
113 |
|
|
} |
114 |
|
|
bond[12]{ |
115 |
|
|
members( 12, 13 ); |
116 |
|
|
} |
117 |
|
|
bond[13]{ |
118 |
|
|
members( 13, 14 ); |
119 |
|
|
} |
120 |
|
|
bond[14]{ |
121 |
|
|
members( 14, 15 ); |
122 |
|
|
} |
123 |
|
|
bond[15]{ |
124 |
|
|
members( 15, 16 ); |
125 |
|
|
} |
126 |
|
|
|
127 |
|
|
nBends = 15; |
128 |
|
|
|
129 |
|
|
bend[0]{ |
130 |
|
|
members( 0, 1, 2 ); |
131 |
|
|
} |
132 |
|
|
bend[1]{ |
133 |
|
|
members( 1, 2, 3 ); |
134 |
|
|
} |
135 |
|
|
bend[2]{ |
136 |
|
|
members( 2, 3, 4 ); |
137 |
|
|
} |
138 |
|
|
bend[3]{ |
139 |
|
|
members( 3, 4, 5 ); |
140 |
|
|
} |
141 |
|
|
bend[4]{ |
142 |
|
|
members( 4, 5, 6 ); |
143 |
|
|
} |
144 |
|
|
bend[5]{ |
145 |
|
|
members( 5, 6, 7 ); |
146 |
|
|
} |
147 |
|
|
bend[6]{ |
148 |
|
|
members( 6, 7, 8 ); |
149 |
|
|
} |
150 |
|
|
bend[7]{ |
151 |
|
|
members( 7, 8, 9 ); |
152 |
|
|
} |
153 |
|
|
bend[8]{ |
154 |
|
|
members( 8, 9, 10 ); |
155 |
|
|
} |
156 |
|
|
bend[9]{ |
157 |
|
|
members( 9, 10, 11 ); |
158 |
|
|
} |
159 |
|
|
bend[10]{ |
160 |
|
|
members( 10, 11, 12 ); |
161 |
|
|
} |
162 |
|
|
bend[11]{ |
163 |
|
|
members( 11, 12, 13 ); |
164 |
|
|
} |
165 |
|
|
bend[12]{ |
166 |
|
|
members( 12, 13, 14 ); |
167 |
|
|
} |
168 |
|
|
bend[13]{ |
169 |
|
|
members( 13, 14, 15 ); |
170 |
|
|
} |
171 |
|
|
bend[14]{ |
172 |
|
|
members( 14, 15, 16 ); |
173 |
|
|
} |
174 |
|
|
|
175 |
|
|
nTorsions = 14; |
176 |
|
|
|
177 |
|
|
torsion[0]{ |
178 |
|
|
members( 0, 1, 2, 3 ); |
179 |
|
|
} |
180 |
|
|
torsion[1]{ |
181 |
|
|
members( 1, 2, 3, 4 ); |
182 |
|
|
} |
183 |
|
|
torsion[2]{ |
184 |
|
|
members( 2, 3, 4, 5 ); |
185 |
|
|
} |
186 |
|
|
torsion[3]{ |
187 |
|
|
members( 3, 4, 5, 6 ); |
188 |
|
|
} |
189 |
|
|
torsion[4]{ |
190 |
|
|
members( 4, 5, 6, 7 ); |
191 |
|
|
} |
192 |
|
|
torsion[5]{ |
193 |
|
|
members( 5, 6, 7, 8 ); |
194 |
|
|
} |
195 |
|
|
torsion[6]{ |
196 |
|
|
members( 6, 7, 8, 9 ); |
197 |
|
|
} |
198 |
|
|
torsion[7]{ |
199 |
|
|
members( 7, 8, 9, 10 ); |
200 |
|
|
} |
201 |
|
|
torsion[8]{ |
202 |
|
|
members( 8, 9, 10, 11 ); |
203 |
|
|
} |
204 |
|
|
torsion[9]{ |
205 |
|
|
members( 9, 10, 11, 12 ); |
206 |
|
|
} |
207 |
|
|
torsion[10]{ |
208 |
|
|
members( 10, 11, 12, 13 ); |
209 |
|
|
} |
210 |
|
|
torsion[11]{ |
211 |
|
|
members( 11, 12, 13, 14 ); |
212 |
|
|
} |
213 |
|
|
torsion[12]{ |
214 |
|
|
members( 12, 13, 14, 15 ); |
215 |
|
|
} |
216 |
|
|
torsion[13]{ |
217 |
|
|
members( 13, 14, 15, 16 ); |
218 |
|
|
} |
219 |
|
|
} |
220 |
|
|
|
221 |
|
|
molecule{ |
222 |
|
|
|
223 |
|
|
name = "simpleLipid_16G"; |
224 |
|
|
nAtoms = 17; |
225 |
|
|
|
226 |
|
|
atom[0]{ |
227 |
|
|
type = "HEAD"; |
228 |
|
|
position( 0.0, 1.01479, 0.65901 ); |
229 |
|
|
orientation( 0.0, 0.0, 0.0 ); |
230 |
|
|
} |
231 |
|
|
atom[1]{ |
232 |
|
|
type = "CH2"; |
233 |
|
|
position( 0.0, -0.8387, -1.292 ); |
234 |
|
|
} |
235 |
|
|
atom[2]{ |
236 |
|
|
type = "CH2"; |
237 |
|
|
position( 0.0, 0.0, -2.584 ); |
238 |
|
|
} |
239 |
|
|
atom[3]{ |
240 |
|
|
type = "CH2"; |
241 |
|
|
position( 0.0, -0.8387, -3.876 ); |
242 |
|
|
} |
243 |
|
|
atom[4]{ |
244 |
|
|
type = "CH2"; |
245 |
|
|
position( 0.0, 0.0, -5.168 ); |
246 |
|
|
} |
247 |
|
|
atom[5]{ |
248 |
|
|
type = "CH2"; |
249 |
|
|
position( 0.0, -0.8387, -6.46 ); |
250 |
|
|
} |
251 |
|
|
atom[6]{ |
252 |
|
|
type = "CH2"; |
253 |
|
|
position( 0.0, 0.0, -7.752 ); |
254 |
|
|
} |
255 |
|
|
atom[7]{ |
256 |
|
|
type = "CH2"; |
257 |
|
|
position( 0.0, -0.8387, -9.044 ); |
258 |
|
|
} |
259 |
|
|
atom[8]{ |
260 |
|
|
type = "CH2"; |
261 |
|
|
position( 0.0, 0.0, -10.336 ); |
262 |
|
|
} |
263 |
|
|
atom[9]{ |
264 |
|
|
type = "CH2"; |
265 |
|
|
position( 0.0, -0.8387, -11.628 ); |
266 |
|
|
} |
267 |
|
|
atom[10]{ |
268 |
|
|
type = "CH2"; |
269 |
|
|
position( 0.0, 0.0, -12.92 ); |
270 |
|
|
} |
271 |
|
|
atom[11]{ |
272 |
|
|
type = "CH2"; |
273 |
|
|
position( 0.0, -0.8387, -14.212 ); |
274 |
|
|
} |
275 |
|
|
atom[12]{ |
276 |
|
|
type = "CH2"; |
277 |
|
|
position( 0.0, 0.0, -15.504 ); |
278 |
|
|
} |
279 |
|
|
atom[13]{ |
280 |
|
|
type = "CH2"; |
281 |
|
|
position( 0.0, -0.8387, -16.796 ); |
282 |
|
|
} |
283 |
|
|
atom[14]{ |
284 |
|
|
type = "CH2"; |
285 |
|
|
position( 0.0, 0.0, -18.08 ); |
286 |
|
|
} |
287 |
|
|
atom[15]{ |
288 |
|
|
type = "CH2"; |
289 |
|
|
position( 0.0, -0.8387, -19.38 ); |
290 |
|
|
} |
291 |
|
|
atom[16]{ |
292 |
|
|
type = "CH3"; |
293 |
|
|
position( 0.0, 0.0, -20.672 ); |
294 |
|
|
} |
295 |
|
|
|
296 |
|
|
nBonds = 16; |
297 |
|
|
|
298 |
|
|
bond[0]{ |
299 |
|
|
members( 0, 1 ); |
300 |
|
|
} |
301 |
|
|
bond[1]{ |
302 |
|
|
members( 1, 2 ); |
303 |
|
|
} |
304 |
|
|
bond[2]{ |
305 |
|
|
members( 2, 3 ); |
306 |
|
|
} |
307 |
|
|
bond[3]{ |
308 |
|
|
members( 3, 4 ); |
309 |
|
|
} |
310 |
|
|
bond[4]{ |
311 |
|
|
members( 4, 5 ); |
312 |
|
|
} |
313 |
|
|
bond[5]{ |
314 |
|
|
members( 5, 6 ); |
315 |
|
|
} |
316 |
|
|
bond[6]{ |
317 |
|
|
members( 6, 7 ); |
318 |
|
|
} |
319 |
|
|
bond[7]{ |
320 |
|
|
members( 7, 8 ); |
321 |
|
|
} |
322 |
|
|
bond[8]{ |
323 |
|
|
members( 8, 9 ); |
324 |
|
|
} |
325 |
|
|
bond[9]{ |
326 |
|
|
members( 9, 10 ); |
327 |
|
|
} |
328 |
|
|
bond[10]{ |
329 |
|
|
members( 10, 11 ); |
330 |
|
|
} |
331 |
|
|
bond[11]{ |
332 |
|
|
members( 11, 12 ); |
333 |
|
|
} |
334 |
|
|
bond[12]{ |
335 |
|
|
members( 12, 13 ); |
336 |
|
|
} |
337 |
|
|
bond[13]{ |
338 |
|
|
members( 13, 14 ); |
339 |
|
|
} |
340 |
|
|
bond[14]{ |
341 |
|
|
members( 14, 15 ); |
342 |
|
|
} |
343 |
|
|
bond[15]{ |
344 |
|
|
members( 15, 16 ); |
345 |
|
|
} |
346 |
|
|
|
347 |
|
|
nBends = 16; |
348 |
|
|
|
349 |
|
|
bend[0]{ |
350 |
|
|
members( 0, 1, 2 ); |
351 |
|
|
} |
352 |
|
|
bend[1]{ |
353 |
|
|
members( 1, 2, 3 ); |
354 |
|
|
} |
355 |
|
|
bend[2]{ |
356 |
|
|
members( 2, 3, 4 ); |
357 |
|
|
} |
358 |
|
|
bend[3]{ |
359 |
|
|
members( 3, 4, 5 ); |
360 |
|
|
} |
361 |
|
|
bend[4]{ |
362 |
|
|
members( 4, 5, 6 ); |
363 |
|
|
} |
364 |
|
|
bend[5]{ |
365 |
|
|
members( 5, 6, 7 ); |
366 |
|
|
} |
367 |
|
|
bend[6]{ |
368 |
|
|
members( 6, 7, 8 ); |
369 |
|
|
} |
370 |
|
|
bend[7]{ |
371 |
|
|
members( 7, 8, 9 ); |
372 |
|
|
} |
373 |
|
|
bend[8]{ |
374 |
|
|
members( 8, 9, 10 ); |
375 |
|
|
} |
376 |
|
|
bend[9]{ |
377 |
|
|
members( 9, 10, 11 ); |
378 |
|
|
} |
379 |
|
|
bend[10]{ |
380 |
|
|
members( 10, 11, 12 ); |
381 |
|
|
} |
382 |
|
|
bend[11]{ |
383 |
|
|
members( 11, 12, 13 ); |
384 |
|
|
} |
385 |
|
|
bend[12]{ |
386 |
|
|
members( 12, 13, 14 ); |
387 |
|
|
} |
388 |
|
|
bend[13]{ |
389 |
|
|
members( 13, 14, 15 ); |
390 |
|
|
} |
391 |
|
|
bend[14]{ |
392 |
|
|
members( 14, 15, 16 ); |
393 |
|
|
} |
394 |
|
|
bend[15]{ |
395 |
|
|
members( 0, 1 ); |
396 |
|
|
ghostVectorSource = 0; |
397 |
|
|
} |
398 |
|
|
|
399 |
|
|
|
400 |
|
|
nTorsions = 14; |
401 |
|
|
|
402 |
|
|
torsion[0]{ |
403 |
|
|
members( 0, 1, 2, 3 ); |
404 |
|
|
} |
405 |
|
|
torsion[1]{ |
406 |
|
|
members( 1, 2, 3, 4 ); |
407 |
|
|
} |
408 |
|
|
torsion[2]{ |
409 |
|
|
members( 2, 3, 4, 5 ); |
410 |
|
|
} |
411 |
|
|
torsion[3]{ |
412 |
|
|
members( 3, 4, 5, 6 ); |
413 |
|
|
} |
414 |
|
|
torsion[4]{ |
415 |
|
|
members( 4, 5, 6, 7 ); |
416 |
|
|
} |
417 |
|
|
torsion[5]{ |
418 |
|
|
members( 5, 6, 7, 8 ); |
419 |
|
|
} |
420 |
|
|
torsion[6]{ |
421 |
|
|
members( 6, 7, 8, 9 ); |
422 |
|
|
} |
423 |
|
|
torsion[7]{ |
424 |
|
|
members( 7, 8, 9, 10 ); |
425 |
|
|
} |
426 |
|
|
torsion[8]{ |
427 |
|
|
members( 8, 9, 10, 11 ); |
428 |
|
|
} |
429 |
|
|
torsion[9]{ |
430 |
|
|
members( 9, 10, 11, 12 ); |
431 |
|
|
} |
432 |
|
|
torsion[10]{ |
433 |
|
|
members( 10, 11, 12, 13 ); |
434 |
|
|
} |
435 |
|
|
torsion[11]{ |
436 |
|
|
members( 11, 12, 13, 14 ); |
437 |
|
|
} |
438 |
|
|
torsion[12]{ |
439 |
|
|
members( 12, 13, 14, 15 ); |
440 |
|
|
} |
441 |
|
|
torsion[13]{ |
442 |
|
|
members( 13, 14, 15, 16 ); |
443 |
|
|
} |
444 |
|
|
} |
445 |
|
|
|
446 |
|
|
molecule{ |
447 |
|
|
|
448 |
|
|
name = "twoChain_14G"; |
449 |
|
|
nAtoms = 31; |
450 |
|
|
|
451 |
|
|
atom[0]{ |
452 |
|
|
type = "HEAD"; |
453 |
|
|
position( -0.110050, 1.249033, -0.023976 ); |
454 |
|
|
orientation( 0.0, 0.0, 0.0 ); |
455 |
|
|
} |
456 |
|
|
atom[1]{ |
457 |
|
|
type = "CH2"; |
458 |
|
|
position( 0.784436, -1.064213, -1.211953 ); |
459 |
|
|
} |
460 |
|
|
atom[2]{ |
461 |
|
|
type = "CH"; |
462 |
|
|
position( 1.109791, -0.911911, -2.709467 ); |
463 |
|
|
} |
464 |
|
|
atom[3]{ |
465 |
|
|
type = "CH2"; |
466 |
|
|
position( -0.268917, -0.607952, -3.324586 ); |
467 |
|
|
} |
468 |
|
|
atom[4]{ |
469 |
|
|
type = "CH2"; |
470 |
|
|
position( -0.331805, 0.044474, -4.718138 ); |
471 |
|
|
} |
472 |
|
|
atom[5]{ |
473 |
|
|
type = "CH2"; |
474 |
|
|
position( -0.103214, -0.867134, -5.938104 ); |
475 |
|
|
} |
476 |
|
|
atom[6]{ |
477 |
|
|
type = "CH2"; |
478 |
|
|
position( -0.181619, -0.100307, -7.271307 ); |
479 |
|
|
} |
480 |
|
|
atom[7]{ |
481 |
|
|
type = "CH2"; |
482 |
|
|
position( 0.042505, -0.939979, -8.542653 ); |
483 |
|
|
} |
484 |
|
|
atom[8]{ |
485 |
|
|
type = "CH2"; |
486 |
|
|
position( -0.051368, -0.117766, -9.841404 ); |
487 |
|
|
} |
488 |
|
|
atom[9]{ |
489 |
|
|
type = "CH2"; |
490 |
|
|
position( 0.142860, -0.925076, -11.138372 ); |
491 |
|
|
} |
492 |
|
|
atom[10]{ |
493 |
|
|
type = "CH2"; |
494 |
|
|
position( 0.019593, -0.083625, -12.422259 ); |
495 |
|
|
} |
496 |
|
|
atom[11]{ |
497 |
|
|
type = "CH2"; |
498 |
|
|
position( 0.180051, -0.885777, -13.727022 ); |
499 |
|
|
} |
500 |
|
|
atom[12]{ |
501 |
|
|
type = "CH2"; |
502 |
|
|
position( 0.034763, -0.043486, -15.008052 ); |
503 |
|
|
} |
504 |
|
|
atom[13]{ |
505 |
|
|
type = "CH2"; |
506 |
|
|
position( 0.173235, -0.851987, -16.311414); |
507 |
|
|
} |
508 |
|
|
atom[14]{ |
509 |
|
|
type = "CH2"; |
510 |
|
|
position( 0.018726, -0.013912, -17.594129); |
511 |
|
|
} |
512 |
|
|
atom[15]{ |
513 |
|
|
type = "CH2"; |
514 |
|
|
position( 0.148780, -0.828559, -18.894528 ); |
515 |
|
|
} |
516 |
|
|
atom[16]{ |
517 |
|
|
type = "CH3"; |
518 |
|
|
position( -0.005954, 0.007456, -20.178559 ); |
519 |
|
|
} |
520 |
|
|
atom[17]{ |
521 |
|
|
type = "CH2"; |
522 |
|
|
position( 2.634030, -1.130837, -2.728703); |
523 |
|
|
} |
524 |
|
|
atom[18]{ |
525 |
|
|
type = "CH2"; |
526 |
|
|
position( 3.297380, -1.543544, -4.055820 ); |
527 |
|
|
} |
528 |
|
|
atom[19]{ |
529 |
|
|
type = "CH2"; |
530 |
|
|
position( 3.457273, -0.451637, -5.129958 ); |
531 |
|
|
} |
532 |
|
|
atom[20]{ |
533 |
|
|
type = "CH2"; |
534 |
|
|
position( 4.094249, -1.019043, -6.412110 ); |
535 |
|
|
} |
536 |
|
|
atom[21]{ |
537 |
|
|
type = "CH2"; |
538 |
|
|
position( 4.235779, -0.046073, -7.597395 ); |
539 |
|
|
} |
540 |
|
|
atom[22]{ |
541 |
|
|
type = "CH2"; |
542 |
|
|
position( 4.820154, -0.745979, -8.838458 ); |
543 |
|
|
} |
544 |
|
|
atom[23]{ |
545 |
|
|
type = "CH2"; |
546 |
|
|
position( 4.932879, 0.124112, -10.104093 ); |
547 |
|
|
} |
548 |
|
|
atom[24]{ |
549 |
|
|
type = "CH2"; |
550 |
|
|
position( 5.429202, -0.669482, -11.326988 ); |
551 |
|
|
} |
552 |
|
|
atom[25]{ |
553 |
|
|
type = "CH2"; |
554 |
|
|
position( 5.471807, 0.135950, -12.638881 ); |
555 |
|
|
} |
556 |
|
|
atom[26]{ |
557 |
|
|
type = "CH2"; |
558 |
|
|
position( 5.843335, -0.710717, -13.870434 ); |
559 |
|
|
} |
560 |
|
|
atom[27]{ |
561 |
|
|
type = "CH2"; |
562 |
|
|
position( 5.795449, 0.066888, -15.198830 ); |
563 |
|
|
} |
564 |
|
|
atom[28]{ |
565 |
|
|
type = "CH2"; |
566 |
|
|
position( 6.056385, -0.801301, -16.443724 ); |
567 |
|
|
} |
568 |
|
|
atom[29]{ |
569 |
|
|
type = "CH2"; |
570 |
|
|
position( 5.952060, -0.029856, -17.772479 ); |
571 |
|
|
} |
572 |
|
|
atom[30]{ |
573 |
|
|
type = "CH3"; |
574 |
|
|
position( 6.164077, -0.903155, -19.023077 ); |
575 |
|
|
} |
576 |
|
|
|
577 |
|
|
nBonds = 30; |
578 |
|
|
|
579 |
|
|
bond[0]{ |
580 |
|
|
members( 0, 1 ); |
581 |
|
|
} |
582 |
|
|
bond[1]{ |
583 |
|
|
members( 1, 2 ); |
584 |
|
|
} |
585 |
|
|
bond[2]{ |
586 |
|
|
members( 2, 3 ); |
587 |
|
|
} |
588 |
|
|
bond[3]{ |
589 |
|
|
members( 3, 4 ); |
590 |
|
|
} |
591 |
|
|
bond[4]{ |
592 |
|
|
members( 4, 5 ); |
593 |
|
|
} |
594 |
|
|
bond[5]{ |
595 |
|
|
members( 5, 6 ); |
596 |
|
|
} |
597 |
|
|
bond[6]{ |
598 |
|
|
members( 6, 7 ); |
599 |
|
|
} |
600 |
|
|
bond[7]{ |
601 |
|
|
members( 7, 8 ); |
602 |
|
|
} |
603 |
|
|
bond[8]{ |
604 |
|
|
members( 8, 9 ); |
605 |
|
|
} |
606 |
|
|
bond[9]{ |
607 |
|
|
members( 9, 10 ); |
608 |
|
|
} |
609 |
|
|
bond[10]{ |
610 |
|
|
members( 10, 11 ); |
611 |
|
|
} |
612 |
|
|
bond[11]{ |
613 |
|
|
members( 11, 12 ); |
614 |
|
|
} |
615 |
|
|
bond[12]{ |
616 |
|
|
members( 12, 13 ); |
617 |
|
|
} |
618 |
|
|
bond[13]{ |
619 |
|
|
members( 13, 14 ); |
620 |
|
|
} |
621 |
|
|
bond[14]{ |
622 |
|
|
members( 14, 15 ); |
623 |
|
|
} |
624 |
|
|
bond[15]{ |
625 |
|
|
members( 15, 16 ); |
626 |
|
|
} |
627 |
|
|
bond[16]{ |
628 |
|
|
members( 2, 17 ); |
629 |
|
|
} |
630 |
|
|
bond[17]{ |
631 |
|
|
members( 17, 18 ); |
632 |
|
|
} |
633 |
|
|
bond[18]{ |
634 |
|
|
members( 18, 19 ); |
635 |
|
|
} |
636 |
|
|
bond[19]{ |
637 |
|
|
members( 19, 20 ); |
638 |
|
|
} |
639 |
|
|
bond[20]{ |
640 |
|
|
members( 20, 21 ); |
641 |
|
|
} |
642 |
|
|
bond[21]{ |
643 |
|
|
members( 21, 22 ); |
644 |
|
|
} |
645 |
|
|
bond[22]{ |
646 |
|
|
members( 22, 23 ); |
647 |
|
|
} |
648 |
|
|
bond[23]{ |
649 |
|
|
members( 23, 24 ); |
650 |
|
|
} |
651 |
|
|
bond[24]{ |
652 |
|
|
members( 24, 25 ); |
653 |
|
|
} |
654 |
|
|
bond[25]{ |
655 |
|
|
members( 25, 26 ); |
656 |
|
|
} |
657 |
|
|
bond[26]{ |
658 |
|
|
members( 26, 27 ); |
659 |
|
|
} |
660 |
|
|
bond[27]{ |
661 |
|
|
members( 27, 28 ); |
662 |
|
|
} |
663 |
|
|
bond[28]{ |
664 |
|
|
members( 28, 29 ); |
665 |
|
|
} |
666 |
|
|
bond[29]{ |
667 |
|
|
members( 29, 30 ); |
668 |
|
|
} |
669 |
|
|
|
670 |
|
|
nBends = 30; |
671 |
|
|
|
672 |
|
|
bend[0]{ |
673 |
|
|
members( 0, 1, 2 ); |
674 |
|
|
} |
675 |
|
|
bend[1]{ |
676 |
|
|
members( 1, 2, 3 ); |
677 |
|
|
} |
678 |
|
|
bend[2]{ |
679 |
|
|
members( 2, 3, 4 ); |
680 |
|
|
} |
681 |
|
|
bend[3]{ |
682 |
|
|
members( 3, 4, 5 ); |
683 |
|
|
} |
684 |
|
|
bend[4]{ |
685 |
|
|
members( 4, 5, 6 ); |
686 |
|
|
} |
687 |
|
|
bend[5]{ |
688 |
|
|
members( 5, 6, 7 ); |
689 |
|
|
} |
690 |
|
|
bend[6]{ |
691 |
|
|
members( 6, 7, 8 ); |
692 |
|
|
} |
693 |
|
|
bend[7]{ |
694 |
|
|
members( 7, 8, 9 ); |
695 |
|
|
} |
696 |
|
|
bend[8]{ |
697 |
|
|
members( 8, 9, 10 ); |
698 |
|
|
} |
699 |
|
|
bend[9]{ |
700 |
|
|
members( 9, 10, 11 ); |
701 |
|
|
} |
702 |
|
|
bend[10]{ |
703 |
|
|
members( 10, 11, 12 ); |
704 |
|
|
} |
705 |
|
|
bend[11]{ |
706 |
|
|
members( 11, 12, 13 ); |
707 |
|
|
} |
708 |
|
|
bend[12]{ |
709 |
|
|
members( 12, 13, 14 ); |
710 |
|
|
} |
711 |
|
|
bend[13]{ |
712 |
|
|
members( 13, 14, 15 ); |
713 |
|
|
} |
714 |
|
|
bend[14]{ |
715 |
|
|
members( 14, 15, 16 ); |
716 |
|
|
} |
717 |
|
|
bend[15]{ |
718 |
|
|
members( 0, 1 ); |
719 |
|
|
ghostVectorSource = 0; |
720 |
|
|
} |
721 |
|
|
bend[16]{ |
722 |
|
|
members( 1, 2, 17 ); |
723 |
|
|
} |
724 |
|
|
bend[17]{ |
725 |
|
|
members( 2, 17, 18 ); |
726 |
|
|
} |
727 |
|
|
bend[18]{ |
728 |
|
|
members( 17, 18, 19 ); |
729 |
|
|
} |
730 |
|
|
bend[19]{ |
731 |
|
|
members( 18, 19, 20 ); |
732 |
|
|
} |
733 |
|
|
bend[20]{ |
734 |
|
|
members( 19, 20, 21 ); |
735 |
|
|
} |
736 |
|
|
bend[21]{ |
737 |
|
|
members( 20, 21, 22 ); |
738 |
|
|
} |
739 |
|
|
bend[22]{ |
740 |
|
|
members( 21, 22, 23 ); |
741 |
|
|
} |
742 |
|
|
bend[23]{ |
743 |
|
|
members( 22, 23, 24 ); |
744 |
|
|
} |
745 |
|
|
bend[24]{ |
746 |
|
|
members( 23, 24, 25 ); |
747 |
|
|
} |
748 |
|
|
bend[25]{ |
749 |
|
|
members( 24, 25, 26 ); |
750 |
|
|
} |
751 |
|
|
bend[26]{ |
752 |
|
|
members( 25, 26, 27 ); |
753 |
|
|
} |
754 |
|
|
bend[27]{ |
755 |
|
|
members( 26, 27, 28 ); |
756 |
|
|
} |
757 |
|
|
bend[28]{ |
758 |
|
|
members( 27, 28, 29 ); |
759 |
|
|
} |
760 |
|
|
bend[29]{ |
761 |
|
|
members( 28, 29, 30 ); |
762 |
|
|
} |
763 |
|
|
|
764 |
|
|
|
765 |
|
|
|
766 |
|
|
|
767 |
|
|
nTorsions = 27; |
768 |
|
|
|
769 |
|
|
torsion[0]{ |
770 |
|
|
members( 0, 1, 2, 3 ); |
771 |
|
|
} |
772 |
|
|
torsion[1]{ |
773 |
|
|
members( 1, 2, 3, 4 ); |
774 |
|
|
} |
775 |
|
|
torsion[2]{ |
776 |
|
|
members( 2, 3, 4, 5 ); |
777 |
|
|
} |
778 |
|
|
torsion[3]{ |
779 |
|
|
members( 3, 4, 5, 6 ); |
780 |
|
|
} |
781 |
|
|
torsion[4]{ |
782 |
|
|
members( 4, 5, 6, 7 ); |
783 |
|
|
} |
784 |
|
|
torsion[5]{ |
785 |
|
|
members( 5, 6, 7, 8 ); |
786 |
|
|
} |
787 |
|
|
torsion[6]{ |
788 |
|
|
members( 6, 7, 8, 9 ); |
789 |
|
|
} |
790 |
|
|
torsion[7]{ |
791 |
|
|
members( 7, 8, 9, 10 ); |
792 |
|
|
} |
793 |
|
|
torsion[8]{ |
794 |
|
|
members( 8, 9, 10, 11 ); |
795 |
|
|
} |
796 |
|
|
torsion[9]{ |
797 |
|
|
members( 9, 10, 11, 12 ); |
798 |
|
|
} |
799 |
|
|
torsion[10]{ |
800 |
|
|
members( 10, 11, 12, 13 ); |
801 |
|
|
} |
802 |
|
|
torsion[11]{ |
803 |
|
|
members( 11, 12, 13, 14 ); |
804 |
|
|
} |
805 |
|
|
torsion[12]{ |
806 |
|
|
members( 12, 13, 14, 15 ); |
807 |
|
|
} |
808 |
|
|
torsion[13]{ |
809 |
|
|
members( 13, 14, 15, 16 ); |
810 |
|
|
} |
811 |
|
|
torsion[14]{ |
812 |
|
|
members( 1, 2, 17, 18 ); |
813 |
|
|
} |
814 |
|
|
torsion[15]{ |
815 |
|
|
members( 2, 17, 18, 19 ); |
816 |
|
|
} |
817 |
|
|
torsion[16]{ |
818 |
|
|
members( 17, 18, 19, 20 ); |
819 |
|
|
} |
820 |
|
|
torsion[17]{ |
821 |
|
|
members( 18, 19, 20, 21 ); |
822 |
|
|
} |
823 |
|
|
torsion[18]{ |
824 |
|
|
members( 19, 20, 21, 22 ); |
825 |
|
|
} |
826 |
|
|
torsion[19]{ |
827 |
|
|
members( 20, 21, 22, 23 ); |
828 |
|
|
} |
829 |
|
|
torsion[20]{ |
830 |
|
|
members( 21, 22, 23, 24 ); |
831 |
|
|
} |
832 |
|
|
torsion[21]{ |
833 |
|
|
members( 22, 23, 24, 25 ); |
834 |
|
|
} |
835 |
|
|
torsion[22]{ |
836 |
|
|
members( 23, 24, 25, 26 ); |
837 |
|
|
} |
838 |
|
|
torsion[23]{ |
839 |
|
|
members( 24, 25, 26, 27 ); |
840 |
|
|
} |
841 |
|
|
torsion[24]{ |
842 |
|
|
members( 25, 26, 27, 28 ); |
843 |
|
|
} |
844 |
|
|
torsion[25]{ |
845 |
|
|
members( 26, 27, 28, 29 ); |
846 |
|
|
} |
847 |
|
|
torsion[26]{ |
848 |
|
|
members( 27, 28, 29, 30 ); |
849 |
|
|
} |
850 |
|
|
|
851 |
|
|
} |