Compute RDF problem

Dear all

In CaCl2 aqueous solution I need to use compute rdf The RDF curves for Calcium cations is not normalized. I would appreciate if you let me know what is wrong in RDF calculation.
I need to have first and second coordination numbers. I am wondering if the 4th column of the output file (as you can see in the following) generated with compute RDF is correct to use.
Ca_RDF

1 0.005 0 0
2 0.015 0 0
3 0.025 0 0
4 0.035 0 0
5 0.045 0 0
6 0.055 0 0
7 0.065 0 0
8 0.075 0 0
9 0.085 0 0
10 0.095 0 0
11 0.105 0 0
12 0.115 0 0
13 0.125 0 0
14 0.135 0 0
15 0.145 0 0
16 0.155 0 0
17 0.165 0 0
18 0.175 0 0
19 0.185 0 0
20 0.195 0 0
21 0.205 0 0
22 0.215 0 0
23 0.225 0 0
24 0.235 0 0
25 0.245 0 0
26 0.255 0 0
27 0.265 0 0
28 0.275 0 0
29 0.285 0 0
30 0.295 0 0
31 0.305 0 0
32 0.315 0 0
33 0.325 0 0
34 0.335 0 0
35 0.345 0 0
36 0.355 0 0
37 0.365 0 0
38 0.375 0 0
39 0.385 0 0
40 0.395 0 0
41 0.405 0 0
42 0.415 0 0
43 0.425 0 0
44 0.435 0 0
45 0.445 0 0
46 0.455 0 0
47 0.465 0 0
48 0.475 0 0
49 0.485 0 0
50 0.495 0 0
51 0.505 0 0
52 0.515 0 0
53 0.525 0 0
54 0.535 0 0
55 0.545 0 0
56 0.555 0 0
57 0.565 0 0
58 0.575 0 0
59 0.585 0 0
60 0.595 0 0
61 0.605 0 0
62 0.615 0 0
63 0.625 0 0
64 0.635 0 0
65 0.645 0 0
66 0.655 0 0
67 0.665 0 0
68 0.675 0 0
69 0.685 0 0
70 0.695 0 0
71 0.705 0 0
72 0.715 0 0
73 0.725 0 0
74 0.735 0 0
75 0.745 0 0
76 0.755 0 0
77 0.765 0 0
78 0.775 0 0
79 0.785 0 0
80 0.795 0 0
81 0.805 0 0
82 0.815 0 0
83 0.825 0 0
84 0.835 0 0
85 0.845 0 0
86 0.855 0 0
87 0.865 0 0
88 0.875 0 0
89 0.885 0 0
90 0.895 0 0
91 0.905 0 0
92 0.915 0 0
93 0.925 0 0
94 0.935 0 0
95 0.945 0 0
96 0.955 0 0
97 0.965 0 0
98 0.975 0 0
99 0.985 0 0
100 0.995 0 0
101 1.005 0 0
102 1.015 0 0
103 1.025 0 0
104 1.035 0 0
105 1.045 0 0
106 1.055 0 0
107 1.065 0 0
108 1.075 0 0
109 1.085 0 0
110 1.095 0 0
111 1.105 0 0
112 1.115 0 0
113 1.125 0 0
114 1.135 0 0
115 1.145 0 0
116 1.155 0 0
117 1.165 0 0
118 1.175 0 0
119 1.185 0 0
120 1.195 0 0
121 1.205 0 0
122 1.215 0 0
123 1.225 0 0
124 1.235 0 0
125 1.245 0 0
126 1.255 0 0
127 1.265 0 0
128 1.275 0 0
129 1.285 0 0
130 1.295 0 0
131 1.305 0 0
132 1.315 0 0
133 1.325 0 0
134 1.335 0 0
135 1.345 0 0
136 1.355 0 0
137 1.365 0 0
138 1.375 0 0
139 1.385 0 0
140 1.395 0 0
141 1.405 0 0
142 1.415 0 0
143 1.425 0 0
144 1.435 0 0
145 1.445 0 0
146 1.455 0 0
147 1.465 0 0
148 1.475 0 0
149 1.485 0 0
150 1.495 0 0
151 1.505 0 0
152 1.515 0 0
153 1.525 0 0
154 1.535 0 0
155 1.545 0 0
156 1.555 0 0
157 1.565 0 0
158 1.575 0 0
159 1.585 0 0
160 1.595 0 0
161 1.605 0 0
162 1.615 0 0
163 1.625 0 0
164 1.635 0 0
165 1.645 0 0
166 1.655 0 0
167 1.665 0 0
168 1.675 0 0
169 1.685 0 0
170 1.695 0 0
171 1.705 0 0
172 1.715 0 0
173 1.725 0 0
174 1.735 0 0
175 1.745 0 0
176 1.755 0.000165622 9.09091e-07
177 1.765 0.00246564 1.45455e-05
178 1.775 0.0130373 8.72727e-05
179 1.785 0.0519286 0.00038
180 1.795 0.129644 0.00111909
181 1.805 0.353708 0.00315909
182 1.815 0.832595 0.00801364
183 1.825 1.87909 0.0190918
184 1.835 3.5817 0.0404382
185 1.845 6.26623 0.0781918
186 1.855 10.2325 0.140512
187 1.865 15.3996 0.23532
188 1.875 21.7842 0.37088
189 1.885 29.2327 0.554732
190 1.895 36.9623 0.789669
191 1.905 44.5359 1.07574
192 1.915 51.2384 1.40833
193 1.925 56.2467 1.77726
194 1.935 59.9027 2.17426
195 1.945 61.4959 2.58604
196 1.955 60.5832 2.99588
197 1.965 58.2202 3.39378
198 1.975 54.2429 3.76829
199 1.985 49.4251 4.11299
200 1.995 44.0261 4.42315
201 2.005 38.5394 4.69738
202 2.015 33.1046 4.9353
203 2.025 27.8923 5.13774
204 2.035 23.416 5.30938
205 2.045 19.164 5.45123
206 2.055 15.5821 5.56771
207 2.065 12.4599 5.66175
208 2.075 9.74069 5.73599
209 2.085 7.7844 5.79589
210 2.095 6.03294 5.84276
211 2.105 4.6677 5.87937
212 2.115 3.59414 5.90783
213 2.125 2.75966 5.92988
214 2.135 2.13831 5.94713
215 2.145 1.57781 5.95998
216 2.155 1.18814 5.96975
217 2.165 0.889309 5.97712
218 2.175 0.682303 5.98283
219 2.185 0.490482 5.98698
220 2.195 0.359989 5.99005
221 2.205 0.285173 5.9925
222 2.215 0.198996 5.99423
223 2.225 0.158332 5.99561
224 2.235 0.121267 5.99669
225 2.245 0.0911223 5.9975
226 2.255 0.0599807 5.99804
227 2.265 0.0486178 5.99848
228 2.275 0.0302658 5.99876
229 2.285 0.0238112 5.99898
230 2.295 0.0205638 5.99917
231 2.305 0.019792 5.99936
232 2.315 0.0158856 5.99951
233 2.325 0.0102501 5.99961
234 2.335 0.00875228 5.99969
235 2.345 0.00550586 5.99974
236 2.355 0.00379903 5.99978
237 2.365 0.00578975 5.99984
238 2.375 0.00455262 5.99988
239 2.385 0.00216255 5.99991
240 2.395 0.00205594 5.99993
241 2.405 0.00150589 5.99994
242 2.415 0.00210774 5.99996
243 2.425 0.00244026 5.99999
244 2.435 0.000698317 6
245 2.445 0.000346308 6
246 2.455 0 6
247 2.465 0 6
248 2.475 0 6
249 2.485 0 6
250 2.495 0 6
251 2.505 0 6
252 2.515 0 6
253 2.525 0 6
254 2.535 0 6
255 2.545 0 6
256 2.555 0 6
257 2.565 0 6
258 2.575 0 6
259 2.585 0 6
260 2.595 0 6
261 2.605 0 6
262 2.615 0 6
263 2.625 0 6
264 2.635 0 6
265 2.645 0 6
266 2.655 0 6
267 2.665 0 6
268 2.675 0 6
269 2.685 0 6
270 2.695 0 6
271 2.705 0 6
272 2.715 0 6
273 2.725 0 6
274 2.735 0 6
275 2.745 0 6
276 2.755 0 6
277 2.765 0 6
278 2.775 0 6
279 2.785 0 6
280 2.795 0 6
281 2.805 0 6
282 2.815 0 6
283 2.825 0 6
284 2.835 0 6
285 2.845 0 6
286 2.855 0 6
287 2.865 0 6
288 2.875 0 6
289 2.885 0 6
290 2.895 0 6
291 2.905 0 6
292 2.915 0 6
293 2.925 0 6
294 2.935 0 6
295 2.945 0 6
296 2.955 0 6
297 2.965 0 6
298 2.975 0 6
299 2.985 0 6
300 2.995 0 6
301 3.005 0 6
302 3.015 0 6
303 3.025 0 6
304 3.035 0 6
305 3.045 0 6
306 3.055 0 6
307 3.065 0 6
308 3.075 0 6
309 3.085 0 6
310 3.095 0 6
311 3.105 0 6
312 3.115 0 6
313 3.125 0 6
314 3.135 0 6
315 3.145 0 6
316 3.155 0.00025837 6
317 3.165 0.000308088 6.00001
318 3.175 0.000204099 6.00001
319 3.185 0.000152118 6.00002
320 3.195 0.00015116 6.00002
321 3.205 0.000100148 6.00002
322 3.215 0.000545461 6.00003
323 3.225 0.000593408 6.00004
324 3.235 0.000787573 6.00006
325 3.245 0.000537473 6.00007
326 3.255 0.000922586 6.00008
327 3.265 0.00106352 6.0001
328 3.275 0.00176939 6.00014
329 3.285 0.00261547 6.00019
330 3.295 0.00317179 6.00025
331 3.305 0.0037164 6.00032
332 3.315 0.00313286 6.00038
333 3.325 0.00357777 6.00045
334 3.335 0.00655456 6.00058
335 3.345 0.00780132 6.00073
336 3.355 0.00770541 6.00089
337 3.365 0.00857301 6.00106
338 3.375 0.0133056 6.00133
339 3.385 0.0165891 6.00166
340 3.395 0.0173462 6.00202
341 3.405 0.0221179 6.00247
342 3.415 0.0275887 6.00304
343 3.425 0.0371872 6.00381
344 3.435 0.0439477 6.00473
345 3.445 0.050787 6.0058
346 3.455 0.0546997 6.00695
347 3.465 0.0727246 6.0085
348 3.475 0.0854016 6.01032
349 3.485 0.0990117 6.01245
350 3.495 0.112845 6.01489
351 3.505 0.12609 6.01763
352 3.515 0.148037 6.02087
353 3.525 0.176002 6.02474
354 3.535 0.194629 6.02904
355 3.545 0.2143 6.03381
356 3.555 0.245667 6.0393
357 3.565 0.29441 6.04592
358 3.575 0.331436 6.05342
359 3.585 0.378994 6.06204
360 3.595 0.420483 6.07166
361 3.605 0.469293 6.08245
362 3.615 0.522936 6.09455
363 3.625 0.569866 6.1078
364 3.635 0.633038 6.12261
365 3.645 0.687816 6.13878
366 3.655 0.72503 6.15592
367 3.665 0.802071 6.17499
368 3.675 0.887221 6.1962
369 3.685 0.952629 6.2191
370 3.695 1.04971 6.24447
371 3.705 1.12798 6.27187
372 3.715 1.19091 6.30096
373 3.725 1.27207 6.3322
374 3.735 1.39266 6.36659
375 3.745 1.47214 6.40313
376 3.755 1.56893 6.44229
377 3.765 1.68624 6.48459
378 3.775 1.81614 6.5304
379 3.785 1.94515 6.57972
380 3.795 2.03814 6.63167
381 3.805 2.15498 6.68689
382 3.815 2.23345 6.74443
383 3.825 2.37978 6.80605
384 3.835 2.50472 6.87125
385 3.845 2.61144 6.93958
386 3.855 2.72868 7.01136
387 3.865 2.84177 7.0865
388 3.875 2.95992 7.16516
389 3.885 3.05714 7.24684
390 3.895 3.17063 7.33198
391 3.905 3.30561 7.42121
392 3.915 3.41776 7.51393
393 3.925 3.5075 7.60957
394 3.935 3.56881 7.70738
395 3.945 3.69541 7.80918
396 3.955 3.81118 7.9147
397 3.965 3.92499 8.02393
398 3.975 4.00567 8.13596
399 3.985 4.08272 8.25071
400 3.995 4.17693 8.36871
401 4.005 4.23884 8.48905
402 4.015 4.29926 8.61172
403 4.025 4.41086 8.7382
404 4.035 4.48153 8.86734
405 4.045 4.55626 8.99929
406 4.055 4.62541 9.13391
407 4.065 4.69715 9.27129
408 4.075 4.78096 9.41181
409 4.085 4.79052 9.55331
410 4.095 4.87877 9.69813
411 4.105 4.90111 9.84431
412 4.115 4.92602 9.99195
413 4.125 4.98029 10.1419
414 4.135 4.99211 10.293
415 4.145 5.04369 10.4464
416 4.155 5.03045 10.6001
417 4.165 5.05254 10.7552
418 4.175 5.1321 10.9136
419 4.185 5.12852 11.0725
420 4.195 5.09968 11.2314
421 4.205 5.09132 11.3907
422 4.215 5.03157 11.5489
423 4.225 5.10051 11.7101
424 4.235 5.07886 11.8713
425 4.245 4.98932 12.0304
426 4.255 4.93162 12.1885
427 4.265 4.938 12.3474
428 4.275 4.93652 12.5071
429 4.285 4.88154 12.6657
430 4.295 4.85782 12.8243
431 4.305 4.81408 12.9823
432 4.315 4.78146 13.1398
433 4.325 4.7055 13.2956
434 4.335 4.66251 13.4507
435 4.345 4.58702 13.604
436 4.355 4.53075 13.7561
437 4.365 4.4929 13.9076
438 4.375 4.46309 14.0588
439 4.385 4.39496 14.2084
440 4.395 4.30533 14.3556
441 4.405 4.27192 14.5023
442 4.415 4.2113 14.6476
443 4.425 4.1106 14.79
444 4.435 4.04348 14.9308
445 4.445 3.94265 15.0687
446 4.455 3.85103 15.204
447 4.465 3.79155 15.3378
448 4.475 3.74778 15.4706
449 4.485 3.72086 15.6031
450 4.495 3.64985 15.7336
451 4.505 3.56872 15.8618
452 4.515 3.48828 15.9877
453 4.525 3.44039 16.1124
454 4.535 3.3609 16.2347
455 4.545 3.31821 16.356
456 4.555 3.22729 16.4746
457 4.565 3.15321 16.5909
458 4.575 3.07055 16.7046
459 4.585 3.00699 16.8165
460 4.595 2.9397 16.9264
461 4.605 2.86986 17.0341
462 4.615 2.83076 17.1408
463 4.625 2.76686 17.2456
464 4.635 2.6936 17.348
465 4.645 2.63093 17.4485
466 4.655 2.59608 17.548
467 4.665 2.56693 17.6469
468 4.675 2.51775 17.7443
469 4.685 2.46581 17.8401
470 4.695 2.42718 17.9348
471 4.705 2.36507 18.0275
472 4.715 2.33869 18.1195
473 4.725 2.29786 18.2104
474 4.735 2.24828 18.2996
475 4.745 2.21722 18.3879
476 4.755 2.19317 18.4757
477 4.765 2.17482 18.5631
478 4.775 2.11542 18.6485
479 4.785 2.10729 18.7339
480 4.795 2.07269 18.8183
481 4.805 2.05576 18.9023
482 4.815 2.02572 18.9854
483 4.825 2.02883 19.069
484 4.835 1.99094 19.1514
485 4.845 1.97461 19.2335
486 4.855 1.96689 19.3156
487 4.865 1.95425 19.3974
488 4.875 1.93679 19.4789
489 4.885 1.92067 19.56
490 4.895 1.87742 19.6397
491 4.905 1.87532 19.7195
492 4.915 1.84233 19.7983
493 4.925 1.83021 19.8769
494 4.935 1.82666 19.9556
495 4.945 1.82055 20.0344
496 4.955 1.83567 20.1142
497 4.965 1.81102 20.1933
498 4.975 1.78877 20.2716
499 4.985 1.78497 20.3501
500 4.995 1.78772 20.4291
501 5.005 1.76822 20.5075
502 5.015 1.78264 20.5869
503 5.025 1.78088 20.6665
504 5.035 1.77049 20.7459
505 5.045 1.78573 20.8264
506 5.055 1.7924 20.9074
507 5.065 1.78785 20.9886
508 5.075 1.79499 21.0705
509 5.085 1.7843 21.1521
510 5.095 1.78342 21.2341
511 5.105 1.76134 21.3153
512 5.115 1.78243 21.3979
513 5.125 1.79479 21.4813
514 5.135 1.79082 21.5649
515 5.145 1.76125 21.6475
516 5.155 1.76219 21.7303
517 5.165 1.75284 21.8131
518 5.175 1.76739 21.8969
519 5.185 1.76428 21.9809
520 5.195 1.74638 22.0643
521 5.205 1.73394 22.1474
522 5.215 1.74513 22.2314
523 5.225 1.75646 22.3163
524 5.235 1.77247 22.4023
525 5.245 1.77308 22.4886
526 5.255 1.78458 22.5759
527 5.265 1.7832 22.6634
528 5.275 1.7825 22.7512
529 5.285 1.77597 22.839
530 5.295 1.78152 22.9274
531 5.305 1.78543 23.0163
532 5.315 1.79934 23.1063
533 5.325 1.80662 23.197
534 5.335 1.81125 23.2882
535 5.345 1.82056 23.3803
536 5.355 1.81573 23.4725
537 5.365 1.81189 23.5648
538 5.375 1.80814 23.6572
539 5.385 1.84348 23.7519
540 5.395 1.82095 23.8457
541 5.405 1.84009 23.9408
542 5.415 1.84093 24.0364
543 5.425 1.84863 24.1327
544 5.435 1.85622 24.2297
545 5.445 1.87379 24.328
546 5.455 1.88483 24.4273
547 5.465 1.87247 24.5263
548 5.475 1.89771 24.627
549 5.485 1.9073 24.7286
550 5.495 1.91819 24.8311
551 5.505 1.92013 24.9341
552 5.515 1.93788 25.0384
553 5.525 1.93121 25.1427
554 5.535 1.94746 25.2484
555 5.545 1.92896 25.3533
556 5.555 1.9467 25.4597
557 5.565 1.95087 25.5666
558 5.575 1.95987 25.6744
559 5.585 1.96796 25.7831
560 5.595 1.94506 25.8909
561 5.605 1.96972 26.0004
562 5.615 1.97473 26.1106
563 5.625 1.9892 26.222
564 5.635 1.99302 26.334
565 5.645 2.01388 26.4476
566 5.655 2.00951 26.5614
567 5.665 2.02238 26.6762
568 5.675 2.0347 26.7922
569 5.685 2.04232 26.9091
570 5.695 2.02035 27.025
571 5.705 2.04246 27.1427
572 5.715 2.03361 27.2603
573 5.725 2.05523 27.3795
574 5.735 2.07452 27.5003
575 5.745 2.05718 27.6204
576 5.755 2.07747 27.7422
577 5.765 2.09565 27.8655
578 5.775 2.08401 27.9885
579 5.785 2.10386 28.1131
580 5.795 2.13671 28.2401
581 5.805 2.14285 28.368
582 5.815 2.14345 28.4963
583 5.825 2.1336 28.6244
584 5.835 2.14894 28.7539
585 5.845 2.1694 28.8851
586 5.855 2.15669 29.016
587 5.865 2.1618 29.1476
588 5.875 2.16841 29.2801
589 5.885 2.162 29.4126
590 5.895 2.19261 29.5475
591 5.905 2.19133 29.6827
592 5.915 2.21117 29.8197
593 5.925 2.21984 29.9576
594 5.935 2.2422 30.0974
595 5.945 2.26492 30.2391
596 5.955 2.27167 30.3817
597 5.965 2.29235 30.526
598 5.975 2.2925 30.6709
599 5.985 2.27834 30.8153
600 5.995 2.2962 30.9614
601 6.005 2.31192 31.109
602 6.015 2.30327 31.2565
603 6.025 2.30356 31.4045
604 6.035 2.30238 31.5529
605 6.045 2.31028 31.7023
606 6.055 2.32198 31.853
607 6.065 2.31258 32.0036
608 6.075 2.31399 32.1547
609 6.085 2.33745 32.3079
610 6.095 2.3531 32.4627
611 6.105 2.349 32.6176
612 6.115 2.36368 32.7741
613 6.125 2.36905 32.9314
614 6.135 2.38391 33.0902
615 6.145 2.37467 33.2489
616 6.155 2.36458 33.4075
617 6.165 2.3717 33.567
618 6.175 2.38183 33.7278
619 6.185 2.4079 33.8908
620 6.195 2.40258 34.054
621 6.205 2.40824 34.2181
622 6.215 2.40374 34.3824
623 6.225 2.41743 34.5483
624 6.235 2.41959 34.7147
625 6.245 2.41038 34.8811
626 6.255 2.41702 35.0485
627 6.265 2.4197 35.2166
628 6.275 2.43351 35.3862
629 6.285 2.45672 35.558
630 6.295 2.43739 35.729
631 6.305 2.44936 35.9013
632 6.315 2.45198 36.0744
633 6.325 2.43058 36.2465
634 6.335 2.43969 36.4198
635 6.345 2.45283 36.5946
636 6.355 2.45789 36.7703
637 6.365 2.45235 36.9462
638 6.375 2.45455 37.1228
639 6.385 2.45481 37.2999
640 6.395 2.46415 37.4783
641 6.405 2.47626 37.6581
642 6.415 2.50371 37.8405
643 6.425 2.4923 38.0226
644 6.435 2.48281 38.2045
645 6.445 2.47496 38.3865
646 6.455 2.48788 38.57
647 6.465 2.48387 38.7537
648 6.475 2.49872 38.9392
649 6.485 2.4985 39.1252
650 6.495 2.49651 39.3116
651 6.505 2.49078 39.4981
652 6.515 2.49327 39.6854
653 6.525 2.49775 39.8737
654 6.535 2.50551 40.063
655 6.545 2.51014 40.2534
656 6.555 2.52179 40.4451
657 6.565 2.51056 40.6367
658 6.575 2.51491 40.8291
659 6.585 2.50591 41.0214
660 6.595 2.49492 41.2135
661 6.605 2.50706 41.4071
662 6.615 2.49201 41.6001
663 6.625 2.4699 41.792
664 6.635 2.48857 41.9859
665 6.645 2.51226 42.1823
666 6.655 2.49429 42.3778
667 6.665 2.48069 42.5728
668 6.675 2.47966 42.7684
669 6.685 2.47986 42.9645
670 6.695 2.46361 43.16
671 6.705 2.46188 43.3559
672 6.715 2.47042 43.5531
673 6.725 2.46706 43.7506
674 6.735 2.45106 43.9474
675 6.745 2.47324 44.1465
676 6.755 2.4633 44.3455
677 6.765 2.45802 44.5446
678 6.775 2.44948 44.7436
679 6.785 2.46015 44.9441
680 6.795 2.44004 45.1435
681 6.805 2.44032 45.3435
682 6.815 2.42347 45.5428
683 6.825 2.43753 45.7437
684 6.835 2.443 45.9457
685 6.845 2.43363 46.1476
686 6.855 2.43311 46.3499
687 6.865 2.42353 46.5521
688 6.875 2.40191 46.7531
689 6.885 2.40596 46.9549
690 6.895 2.40986 47.1577
691 6.905 2.38607 47.3591
692 6.915 2.387 47.5611
693 6.925 2.3825 47.7634
694 6.935 2.38232 47.9662
695 6.945 2.3748 48.1689
696 6.955 2.36451 48.3714
697 6.965 2.36845 48.5748
698 6.975 2.35979 48.778
699 6.985 2.35787 48.9816
700 6.995 2.34697 49.1849
701 7.005 2.34243 49.3884
702 7.015 2.33017 49.5913
703 7.025 2.33127 49.795
704 7.035 2.32784 49.9989
705 7.045 2.30633 50.2015
706 7.055 2.31778 50.4057
707 7.065 2.30246 50.6092
708 7.075 2.30804 50.8137
709 7.085 2.29758 51.0178
710 7.095 2.29801 51.2226
711 7.105 2.27908 51.4262
712 7.115 2.28139 51.6307
713 7.125 2.27204 51.8349
714 7.135 2.26124 52.0386
715 7.145 2.24074 52.2411
716 7.155 2.24106 52.4442
717 7.165 2.25359 52.649
718 7.175 2.23622 52.8528
719 7.185 2.23168 53.0568
720 7.195 2.24844 53.2628
721 7.205 2.25075 53.4696
722 7.215 2.22546 53.6747
723 7.225 2.22353 53.8802
724 7.235 2.23561 54.0873
725 7.245 2.21477 54.2931
726 7.255 2.20855 54.4989
727 7.265 2.21445 54.7058
728 7.275 2.21665 54.9135
729 7.285 2.21948 55.122
730 7.295 2.23401 55.3324
731 7.305 2.22609 55.5427
732 7.315 2.22083 55.7531
733 7.325 2.20365 55.9624
734 7.335 2.20595 56.1724
735 7.345 2.20741 56.3832
736 7.355 2.19801 56.5937
737 7.365 2.19273 56.8043
738 7.375 2.1922 57.0153
739 7.385 2.19195 57.2269
740 7.395 2.1965 57.4396
741 7.405 2.19816 57.6529
742 7.415 2.21019 57.868
743 7.425 2.2037 58.0831
744 7.435 2.19999 58.2984
745 7.445 2.17618 58.5119
746 7.455 2.18468 58.7268
747 7.465 2.17427 58.9413
748 7.475 2.17686 59.1566
749 7.485 2.17892 59.3727
750 7.495 2.19953 59.5914
751 7.505 2.21209 59.812
752 7.515 2.21897 60.0338
753 7.525 2.20114 60.2544
754 7.535 2.19659 60.4752
755 7.545 2.20369 60.6972
756 7.555 2.19993 60.9195
757 7.565 2.19832 61.1422
758 7.575 2.18916 61.3646
759 7.585 2.20326 61.589
760 7.595 2.1975 61.8133
761 7.605 2.19007 62.0376
762 7.615 2.19844 62.2632
763 7.625 2.18114 62.4877
764 7.635 2.19207 62.7139
765 7.645 2.19213 62.9407
766 7.655 2.17982 63.1668
767 7.665 2.17691 63.3932
768 7.675 2.18108 63.6206
769 7.685 2.19347 63.8499
770 7.695 2.19705 64.0802
771 7.705 2.20048 64.3115
772 7.715 2.20712 64.544
773 7.725 2.19568 64.776
774 7.735 2.19353 65.0083
775 7.745 2.19588 65.2415
776 7.755 2.20445 65.4762
777 7.765 2.19517 65.7104
778 7.775 2.19275 65.9451
779 7.785 2.18959 66.18
780 7.795 2.18876 66.4154
781 7.805 2.19334 66.6519
782 7.815 2.21029 66.8909
783 7.825 2.22239 67.1317
784 7.835 2.21259 67.3721
785 7.845 2.21906 67.6139
786 7.855 2.21043 67.8553
787 7.865 2.20089 68.0963
788 7.875 2.20507 68.3383
789 7.885 2.19785 68.5802
790 7.895 2.19402 68.8223
791 7.905 2.19911 69.0655
792 7.915 2.19336 69.3087
793 7.925 2.2091 69.5543
794 7.935 2.21219 69.8008
795 7.945 2.21917 70.0488
796 7.955 2.19679 70.2948
797 7.965 2.20621 70.5426
798 7.975 2.20849 70.7912
799 7.985 2.1972 71.0392
800 7.995 2.20955 71.2892
801 8.005 2.19541 71.5382
802 8.015 2.19647 71.788
803 8.025 2.19689 72.0384
804 8.035 2.19769 72.2896
805 8.045 2.2033 72.542
806 8.055 2.20243 72.7949
807 8.065 2.19499 73.0476
808 8.075 2.19359 73.3008
809 8.085 2.18089 73.5531
810 8.095 2.20768 73.8092
811 8.105 2.20518 74.0656
812 8.115 2.19916 74.322
813 8.125 2.21062 74.5803
814 8.135 2.21325 74.8395
815 8.145 2.21227 75.0993
816 8.155 2.20065 75.3584
817 8.165 2.21342 75.6195
818 8.175 2.21484 75.8816
819 8.185 2.22452 76.1453
820 8.195 2.21994 76.4092
821 8.205 2.2073 76.6723
822 8.215 2.21947 76.9374
823 8.225 2.22471 77.2038
824 8.235 2.22859 77.4713
825 8.245 2.2205 77.7385
826 8.255 2.22079 78.0063
827 8.265 2.2184 78.2746
828 8.275 2.22695 78.5445
829 8.285 2.23004 78.8154
830 8.295 2.218 79.0855
831 8.305 2.21743 79.3562
832 8.315 2.20075 79.6256
833 8.325 2.19925 79.8953
834 8.335 2.19155 80.1648
835 8.345 2.20215 80.4363
836 8.355 2.2018 80.7083
837 8.365 2.19845 80.9806
838 8.375 2.19866 81.2536
839 8.385 2.212 81.5289
840 8.395 2.21388 81.805
841 8.405 2.21871 82.0824
842 8.415 2.20981 82.3594
843 8.425 2.20912 82.6369
844 8.435 2.20984 82.9152
845 8.445 2.20535 83.1936
846 8.455 2.21808 83.4742
847 8.465 2.21591 83.7553
848 8.475 2.2221 84.0378
849 8.485 2.21549 84.3201
850 8.495 2.2172 84.6033
851 8.505 2.21525 84.8869
852 8.515 2.21679 85.1714
853 8.525 2.21235 85.4559
854 8.535 2.20878 85.7407
855 8.545 2.2025 86.0254
856 8.555 2.18519 86.3085
857 8.565 2.19459 86.5934
858 8.575 2.20015 86.8798
859 8.585 2.2063 87.1676
860 8.595 2.19732 87.4549
861 8.605 2.18027 87.7407
862 8.615 2.18668 88.028
863 8.625 2.18367 88.3155
864 8.635 2.19106 88.6047
865 8.645 2.19452 88.895
866 8.655 2.1948 89.186
867 8.665 2.19469 89.4776
868 8.675 2.19851 89.7705
869 8.685 2.18489 90.0622
870 8.695 2.19142 90.3554
871 8.705 2.19515 90.6499
872 8.715 2.18892 90.9441
873 8.725 2.19585 91.24
874 8.735 2.19872 91.5369
875 8.745 2.19921 91.8346
876 8.755 2.19298 92.1322
877 8.765 2.21001 92.4327
878 8.775 2.19973 92.7325
879 8.785 2.21692 93.0353
880 8.795 2.20354 93.337
881 8.805 2.1972 93.6385
882 8.815 2.20843 93.9422
883 8.825 2.20823 94.2466
884 8.835 2.19616 94.5501
885 8.845 2.19473 94.854
886 8.855 2.19673 95.1589
887 8.865 2.2144 95.4669
888 8.875 2.21146 95.7752
889 8.885 2.21699 96.085
890 8.895 2.20282 96.3935
891 8.905 2.20397 96.7028
892 8.915 2.19433 97.0115
893 8.925 2.20828 97.3229
894 8.935 2.19664 97.6333
895 8.945 2.19347 97.944
896 8.955 2.19041 98.2549
897 8.965 2.20087 98.568
898 8.975 2.18797 98.88
899 8.985 2.17817 99.1912
900 8.995 2.19503 99.5056
901 9.005 2.18021 99.8185
902 9.015 2.1869 100.133
903 9.025 2.18807 100.449
904 9.035 2.18359 100.764
905 9.045 2.18502 101.081
906 9.055 2.18651 101.398
907 9.065 2.18775 101.716
908 9.075 2.19222 102.036
909 9.085 2.18277 102.355
910 9.095 2.17824 102.674
911 9.105 2.18301 102.994
912 9.115 2.18617 103.315
913 9.125 2.18949 103.638
914 9.135 2.18487 103.961
915 9.145 2.17512 104.283
916 9.155 2.16835 104.604
917 9.165 2.16386 104.926
918 9.175 2.16332 105.249
919 9.185 2.16494 105.572
920 9.195 2.14924 105.893
921 9.205 2.14995 106.216
922 9.215 2.15237 106.539
923 9.225 2.15779 106.864
924 9.235 2.15275 107.189
925 9.245 2.14545 107.514
926 9.255 2.14601 107.839
927 9.265 2.15646 108.167
928 9.275 2.15015 108.494
929 9.285 2.15448 108.823
930 9.295 2.15289 109.152
931 9.305 2.15841 109.483
932 9.315 2.15113 109.814
933 9.325 2.15451 110.145
934 9.335 2.14836 110.477
935 9.345 2.14886 110.809
936 9.355 2.14988 111.142
937 9.365 2.15721 111.477
938 9.375 2.14135 111.81
939 9.385 2.13804 112.143
940 9.395 2.13943 112.477
941 9.405 2.14094 112.813
942 9.415 2.14457 113.149
943 9.425 2.16097 113.489
944 9.435 2.15718 113.829
945 9.445 2.1502 114.168
946 9.455 2.14841 114.508
947 9.465 2.14115 114.848
948 9.475 2.14296 115.188
949 9.485 2.14654 115.53
950 9.495 2.14574 115.873
951 9.505 2.11842 116.211
952 9.515 2.14692 116.555
953 9.525 2.13557 116.898
954 9.535 2.14909 117.244
955 9.545 2.13987 117.589
956 9.555 2.14593 117.936
957 9.565 2.1469 118.284
958 9.575 2.15832 118.634
959 9.585 2.16734 118.987
960 9.595 2.15056 119.337
961 9.605 2.14381 119.687
962 9.615 2.15385 120.04
963 9.625 2.14213 120.391
964 9.635 2.14203 120.743
965 9.645 2.14915 121.097
966 9.655 2.14196 121.45
967 9.665 2.14652 121.805
968 9.675 2.12657 122.157
969 9.685 2.12152 122.51
970 9.695 2.12381 122.863
971 9.705 2.11952 123.216
972 9.715 2.11583 123.57
973 9.725 2.12227 123.925
974 9.735 2.12129 124.281
975 9.745 2.13242 124.639
976 9.755 2.13303 124.999
977 9.765 2.12084 125.357
978 9.775 2.12282 125.716
979 9.785 2.11423 126.074
980 9.795 2.12371 126.435
981 9.805 2.12374 126.796
982 9.815 2.12117 127.158
983 9.825 2.1225 127.52
984 9.835 2.12847 127.885
985 9.845 2.13447 128.251
986 9.855 2.12919 128.617
987 9.865 2.11801 128.982
988 9.875 2.13729 129.351
989 9.885 2.12499 129.718
990 9.895 2.11308 130.085
991 9.905 2.11543 130.452
992 9.915 2.11722 130.82
993 9.925 2.11301 131.189
994 9.935 2.12327 131.56
995 9.945 2.11581 131.93
996 9.955 2.11203 132.301
997 9.965 2.10982 132.672
998 9.975 2.12058 133.045
999 9.985 2.13068 133.421
1000 9.995 2.1137 133.795

Dear all

In CaCl2 aqueous solution I need to use compute rdf The RDF curves for
Calcium cations is not normalized. I would appreciate if you let me know
what is wrong in RDF calculation.

​how on earth should somebody know??
you don't state which version of LAMMPS you are using, you don't provide an
input to reproduce the graph.
do you get a different result with a different code to compute g(r), e.g.
from using the g(r) plugin in VMD?

axel.​

Thanks for your attention.

LAMMPS version. 15May2015

I have used the following command.

compute allCaRDF${Index} all rdf 1000 5 1
compute allClRDF${Index} all rdf 1000 6 1

I need to let you know in a single phase I don’t have the problem I mentioned. When I have some hexane molecules in mu simulation box in addition to the aqueous phase I see the problem.

Thanks for your attention.

LAMMPS version. 15May2015

​then please try the current version (12 May 2016).
there have been significant improvements to compute rdf since.​

I have used the following command.

compute allCaRDF${Index} all rdf 1000 5 1
compute allClRDF${Index} all rdf 1000 6 1

I need to let you know in a single phase I don't have the problem I
mentioned. When I have some hexane molecules in mu simulation box in
addition to the aqueous phase I see the problem.

​you have the same problem everywhere, it is just not as prevalent​ when
you have many atoms of a given type.

​axel.​