[gmx-users] summary_distances.dat file not complete
Norfarisha Mohd Fadil
farishafadil at live.com
Thu Jun 8 04:57:03 CEST 2017
Dear users,
I ran the Perl script for Umbrella Sampling Tutorial 3, and it generated an incomplete summary_distances.dat :
summary_distances.dat :
0 0.505
1 0.507
2 0.504
3 0.510
4 0.505
5 0.500
6 0.499
7 0.509
8 0.505
9 0.504
10 0.510
11 0.505
12 0.509
13 0.508
14 0.511
15 0.513
16 0.504
17 0.499
18 0.512
19 0.504
20 0.506
21 0.510
22 0.504
23 0.498
24 0.496
25 0.507
26 0.504
27 0.501
28 0.509
29 0.512
30 0.508
31 0.511
32 0.501
33 0.508
34 0.503
35 0.507
36 0.511
37 0.503
38 0.506
39 0.503
40 0.512
41 0.502
42 0.503
43 0.503
44 0.503
45 0.500
46 0.492
47 0.507
48 0.503
49 0.501
50 0.501
51 0.501
52 0.504
53 0.500
54 0.504
55 0.507
56 0.504
57 0.514
58 0.506
59 0.509
60 0.504
61 0.503
62 0.505
63 0.502
64 0.508
65 0.496
66 0.499
67 0.507
68 0.507
69 0.512
70 0.500
71 0.507
72 0.498
73 0.500
74 0.499
75 0.509
76 0.507
77 0.504
78 0.506
79 0.502
80 0.510
81 0.507
82 0.513
83 0.504
84 0.516
85 0.509
86 0.504
87 0.510
88 0.504
89 0.509
90 0.515
91 0.513
92 0.516
93 0.513
94 0.514
95 0.519
96 0.507
97 0.521
98 0.505
99 0.514
100 0.508
101 0.510
102 0.520
103 0.514
104 0.507
105 0.512
106 0.506
107 0.510
108 0.508
109 0.506
110 0.512
111 0.519
112 0.519
113 0.521
114 0.506
115 0.508
116 0.518
117 0.521
118 0.520
119 0.519
120 0.507
121 0.515
122 0.523
123 0.529
124 0.525
125 0.528
126 0.516
127 0.536
128 0.538
129 0.533
130 0.538
131 0.540
132 0.543
133 0.551
134 0.550
135 0.552
136 0.552
137 0.549
138 0.541
139 0.542
140 0.550
141 0.563
142 0.551
143 0.553
144 0.554
145 0.541
146 0.551
147 0.557
148 0.558
149 0.557
150 0.562
151 0.566
152 0.553
153 0.566
154 0.568
155 0.570
156 0.579
157 0.594
158 0.580
159 0.582
160 0.579
161 0.583
162 0.580
163 0.604
164 0.631
165 0.632
166 0.629
167 0.631
168 0.625
169 0.626
170 0.642
171 0.633
172 0.649
173 0.645
174 0.644
175 0.640
176 0.648
177 0.669
178 0.668
179 0.673
180 0.687
181 0.697
182 0.698
183 0.711
184 0.725
185 0.739
186 0.732
187 0.735
188 0.744
189 0.753
190 0.798
191 0.813
192 0.820
193 0.845
194 0.847
195 0.883
196 0.903
197 0.908
198 0.926
199 0.984
200 1.024
201 1.056
202 1.110
203 1.174
204 1.247
205 1.295
206 1.320
207 1.388
208 1.410
209 1.452
210 1.509
211 1.550
212 1.592
213 1.600
214 1.675
215 1.728
216 1.824
217 1.867
218 1.934
219 1.958
220 1.990
221 2.060
222 2.083
223 2.137
224 2.199
225 2.242
226 2.260
227 2.297
228 2.349
229 2.375
230 2.406
231 2.410
232 2.454
233 2.505
234 2.499
235 2.535
236 2.572
237 2.579
238 2.570
239 2.619
240 2.609
241 2.646
242 2.654
243 2.666
244 2.696
245 2.725
246 2.728
247 2.733
248 2.737
249 2.763
250 2.760
251 2.760
252 2.783
253 2.793
254 2.821
255 2.847
256 2.864
257 2.873
258 2.900
259 2.924
260 2.937
261 2.971
262 3.012
263 3.029
264 3.031
265 3.004
266 3.018
267 3.047
268 3.034
269 3.026
270 3.055
271 3.043
272 3.058
273 3.103
274 3.111
275 3.116
276 3.114
277 3.112
278 3.124
279 3.130
280 3.151
281 3.166
282 3.154
283 3.182
284 3.174
285 3.194
286 3.199
287 3.184
288 3.228
289 3.260
290 3.263
291 3.298
292 3.305
293 3.319
294 3.331
295 3.343
296 3.357
297 3.367
298 3.381
299 3.374
300 3.398
301 3.409
302 3.430
303 3.465
304 3.504
305 3.491
306 3.506
307 3.514
308 3.513
309 3.526
310 3.529
311 3.512
312 3.512
313 3.534
314 3.553
315 3.582
316 3.584
317 3.561
318 3.585
319 3.596
320 3.614
321 3.618
322 3.616
323 3.607
324 3.603
325 3.624
326 3.658
327 3.674
328 3.660
329 3.665
330 3.652
331 3.683
332 3.699
333 3.714
334 3.771
335 3.798
336 3.815
337 3.818
338 3.830
339 3.833
340 3.837
341 3.812
342 3.808
343 3.823
344 3.819
345 3.856
346 3.881
347 3.890
348 3.923
349 3.948
350 3.980
351 3.979
352 3.938
353 3.940
354 3.943
355 3.954
356 3.976
357 3.972
358 3.950
359 3.955
360 3.959
361 3.988
362 3.993
363 4.012
364 4.032
365 4.039
366 4.062
367 4.050
368 4.048
369 4.064
370 4.072
371 4.071
372 4.095
373 4.102
374 4.089
375 4.096
376 4.069
377 4.081
378 4.062
379 4.081
380 4.120
381 4.145
382 4.142
383 4.162
384 4.204
385 4.234
386 4.237
387 4.295
388 4.317
389 4.346
390 4.379
391 4.394
392 4.393
393 4.390
394 4.371
395 4.400
396 4.393
397 4.380
398 4.370
399 4.382
400 4.377
401 4.402
402 4.401
403 4.446
404 4.455
405 4.486
406 4.499
407 4.520
408 4.533
409
410 4.564
411 4.586
412 4.596
413 4.617
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431 4.813
432
433
434 4.836
435
436
437
438
439
440
441
442
443
444
445
446 4.910
447 4.930
448
449 4.913
450
451
452 4.983
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
I've been following the tutorial carefully. I don't know what is the problem here. Can someone help?
With thanks and regards,
Norfarisha binti Mohd Fadil
Student
Department of Chemistry
Faculty of Science
UTM, Johor Bahru
Malaysia
Phone: +6011-26651278
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