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[lammps-users] table potential issues.


From: Anna Vernon <lappala.anna@...24...>
Date: Fri, 18 Aug 2017 20:43:52 -0600

dear LAMMPS users,


please find attached two table files--  table fene original is just the tabulated version of the original FENE potential, and the table_FENE one is a shifted potential with a minimum at 1.12246

The problem is, although the files are almost identical (the minimum is just shifted, the original FENE file runs, and the other one does not, and I am more then puzzled about this...

both are results of bond_write command.
The "broken" potential goes up to 4 steps and crashes as a result of a lost bond. I would appreciate any input!
many thanks,

Anna

# Bond potential table for bond type 1: i,r,energy,force

FENE
N 500 EQ 1.12246

1 0.001 13676566810.1059 1018779448297.65
2 0.0050060120240481 18460870286.9186 1415273075950.29
3 0.00901202404809619 25198444172.1192 1982429971008.17
4 0.0130180360721443 34676668966.0742 2801662382039.63
5 0.0170240480961924 48152225057.7621 3998374427714.93
6 0.0210300601202405 67448100114.337 5760010724775.48
7 0.0250360721442886 95478256633.2058 8393683919294.21
8 0.0290420841683367 136410756510.692 12353444405059.7
9 0.0330480961923848 197324158013.789 18429324162427.2
10 0.0370541082164329 288259724688.057 27784022785474.1
11 0.041060120240481 427327899901.887 42566177030933.8
12 0.0450661322645291 640184655630.056 65945281321656.6
13 0.0490721442885772 975986496163.193 104147262011078
14 0.0530781563126253 1505142446624.57 166490457239872
15 0.0570841683366734 2369434981605.11 272245571892975
16 0.0610901803607214 3780958551819.45 451610113659264
17 0.0650961923847695 6174472756320.18 768408986464899
18 0.0691022044088176 10254561810830.2 1.33108825020509e+15
19 0.0731082164328657 17484289189040.1 2.37315896576972e+15
20 0.0771142284569138 30449108195709.3 4.3278879361407e+15
21 0.0811202404809619 54657659611782.4 8.15827123985379e+15
22 0.08512625250501 100795996211701 1.58306227888385e+16
23 0.0891322645290581 192590298428570 3.19289239818273e+16
24 0.0931382765531062 381083427994910 6.68725533366632e+16
25 0.0971442885771543 786690175178952 1.46658899585498e+17
26 0.101150300601202 1.70117658218462e+15 3.38204794796371e+17
27 0.105156312625251 3.8747072615714e+15 8.25040494164479e+17
28 0.109162324649299 9.40351663162036e+15 2.15429231130016e+18
29 0.113168336673347 2.43759357256114e+16 6.16275666934104e+18
30 0.117174348697395 6.66473657510642e+16 -5.18471042261001e+19
31 0.121180360721443 3.36289669826976e+17 3.53077814990783e+21
32 0.125186372745491 -8.6622361413619e+19 -2.47596119321135e+24
33 0.129192384769539 1.19701139845643e+21 3.38361432339441e+25
34 0.133198396793587 -2.87989493824916e+24 -8.16113862139083e+28
35 0.137204408817635 -1.80516216374369e+26 -5.1155023811154e+30
36 0.141210420841683 -8.75273755365453e+28 -2.48036596034809e+33
37 0.145216432865731 -1.40881885288406e+31 -3.99233528410288e+35
38 0.14922244488978 -2.3524937457088e+33 -6.66653754786755e+37
39 0.153228456913828 -7.38659325540676e+35 -2.09322559826361e+40
40 0.157234468937876 -4.96388716908668e+37 -1.40667495746066e+42
41 0.161240480961924 3.17653244078169e+40 7.25317336584647e+44
42 0.165246492985972 -3.71941538145181e+37 -5.05285859909069e+42
43 0.16925250501002 5.33749360721144e+34 7.25103175049488e+39
44 0.173258517034068 -8.05811582128044e+32 -1.09470208625456e+38
45 0.177264529058116 2.34987112698217e+29 3.19232022259621e+34
46 0.181270541082164 -1.52767379468732e+28 -2.07535838403872e+33
47 0.185276553106212 -2.71843969616374e+25 -3.69304206683748e+30
48 0.189282565130261 -2.21735475939856e+23 -3.01256648601799e+28
49 0.193288577154309 -1.5656447970954e+21 -2.13230965719044e+26
50 0.197294589178357 5.52967362733946e+16 -1.19675216784781e+23
51 0.201300601202405 2.01079579314684e+17 -8.38071031932114e+21
52 0.205306613226453 8.20847454941746e+16 -8.79198742269141e+18
53 0.209312625250501 2.8801566944026e+16 -7.52616619572956e+18
54 0.213318637274549 1.08629430254765e+16 -2.5190916851173e+18
55 0.217324649298597 4.46495000525388e+15 -9.62236410630651e+17
56 0.221330661322645 1.9278122762804e+15 -3.87134502204e+17
57 0.225336673346693 889798910708875 -1.67612031676481e+17
58 0.229342685370742 425696304500682 -7.53716395414069e+16
59 0.23334869739479 214740209007923 -3.59275415982472e+16
60 0.237354709418838 111469408509381 -1.76521819324178e+16
61 0.241360721442886 60257818776331.2 -9.06771260671339e+15
62 0.245366733466934 33390383280378.8 -4.78246241342231e+15
63 0.249372745490982 19099436720862 -2.61151604902382e+15
64 0.25337875751503 11164790893294.3 -1.45962156955859e+15
65 0.257384769539078 6693755581446.01 -838634514333905
66 0.261390781563126 4091306213120.4 -491950715898890
67 0.265396793587174 2552324127789.92 -295070159716650
68 0.269402805611222 1620015637448.54 -180322439413768
69 0.273408817635271 1045596504232.82 -112212280058084
70 0.277414829659319 685493366550.876 -71024042953258.5
71 0.281420841683367 455654069713.829 -45628671251580
72 0.285426853707415 307228008660.57 -29772460472185.8
73 0.289432865731463 209541491351.12 -19667445250959.8
74 0.293438877755511 144797962395.531 -13179169903791
75 0.297444889779559 101024049510.284 -8922565463638.01
76 0.301450901803607 71339838118.5702 -6121177044288.16
77 0.305456913827655 50786157056.5022 -4235577451649.37
78 0.309462925851703 36561492641.0333 -2967091036711.42
79 0.313468937875752 26500915026.5054 -2093540075708.65
80 0.3174749498998 19410262696.7395 -1494235457055.14
81 0.321480961923848 14302132859.0058 -1073253147275.11
82 0.325486973947896 10637011547.3461 -778819243321.759
83 0.329492985971944 7955822362.53849 -568547643891.628
84 0.333498997995992 5998922602.77216 -418753997374.613
85 0.33750501002004 4548075589.98465 -310225082137.139
86 0.341511022044088 3472615034.51539 -231609153739.626
87 0.345517034068136 2665472826.66507 -173896380530.893
88 0.349523046092184 2058649815.49535 -131449052386.766
89 0.353529058116232 1598103624.39822 -99910601750.9628
90 0.357535070140281 1247346335.73702 -76388608821.3767
91 0.361541082164329 978390742.123472 -58717243993.4833
92 0.365547094188377 771099530.975614 -45367619475.2915
93 0.369553106212425 610638214.804475 -35235564762.9206
94 0.373559118236473 485602007.382944 -27490433482.2707
95 0.377565130260521 387960921.460262 -21556289376.047
96 0.381571142284569 311099817.382324 -16970253929.1981
97 0.385577154308617 250588606.668686 -13425617613.1351
98 0.389583166332665 202504620.338593 -10658316324.7537
99 0.393589178356713 164361532.378507 -8501909623.02511
100 0.397595190380762 133785135.157881 -6802437385.40021
101 0.40160120240481 109358343.568458 -5468025385.06048
102 0.405607214428858 89617212.2579365 -4407110580.5605
103 0.409613226452906 73740888.9287861 -3568078888.09959
104 0.413619238476954 60821077.7978481 -2896026863.12677
105 0.417625250501002 50350078.2210494 -2360088984.81251
106 0.42163126252505 41780649.7561031 -1928187272.23137
107 0.425637274549098 34784993.5322334 -1581063484.85082
108 0.429643286573146 29029228.1300358 -1299715827.83205
109 0.433649298597194 24298435.9667918 -1071930701.47206
110 0.437655310621243 20386556.329697 -886308961.887701
111 0.441661322645291 17150643.7465124 -734985476.00138
112 0.445667334669339 14462189.1361727 -611042326.588835
113 0.449673346693387 12224830.0007205 -509341535.912361
114 0.453679358717435 10357662.4917241 -425640244.223023
115 0.457685370741483 8794902.24776455 -356536531.633434
116 0.461691382765531 7485183.99801458 -299403219.866294
117 0.465697394789579 6383063.22543633 -251959158.342434
118 0.469703406813627 5455684.82544219 -212563601.585567
119 0.473709418837675 4671303.56634301 -179668583.009507
120 0.477715430861724 4008768.61381571 -152241613.933628
121 0.481721442885772 3445670.47906632 -129220383.358766
122 0.48572745490982 2968319.83934245 -109950883.394409
123 0.489733466933868 2560740.17466425 -93696310.5768511
124 0.493739478957916 2214033.92197908 -80040107.8619582
125 0.497745490981964 1916781.61386447 -68469320.0681813
126 0.501751503006012 1662949.98056876 -58707762.3463121
127 0.50575751503006 1444594.6494376 -50406956.9693961
128 0.509763527054108 1257341.9739191 -43371959.5802555
129 0.513769539078156 1095795.12844193 -37371079.9768872
130 0.517775551102204 956697.113849842 -32263042.5975919
131 0.521781563126253 836363.123215884 -27892901.2741826
132 0.525787575150301 732349.736539299 -24157440.0060783
133 0.529793587174349 642129.985150825 -20952495.9422114
134 0.533799599198397 563857.970862873 -18202078.2919557
135 0.537805611222445 495794.328845666 -15835845.3686608
136 0.541811623246493 436535.328239037 -13797441.96582
137 0.545817635270541 384880.190868881 -12039183.8755368
138 0.549823647294589 339754.736818115 -10518988.2657347
139 0.553829659318637 300328.233708412 -9204430.89630488
140 0.557835671342685 265773.78752618 -8063879.91009603
141 0.561841683366734 235515.974396426 -7075238.06236819
142 0.565847695390782 208914.653407468 -6214580.16655533
143 0.56985370741483 185571.180128211 -5466827.14549958
144 0.573859719438878 164987.316226549 -4813774.90690403
145 0.577865731462926 146887.185452786 -4245131.13181122
146 0.581871743486974 130881.001929038 -3746965.94998579
147 0.585877755511022 116778.344122792 -3312261.56419437
148 0.58988376753507 104277.742807434 -2930463.32357555
149 0.593889779559118 93233.4461094182 -2596311.06539445
150 0.597895791583166 83426.2521422164 -2302258.79681742
151 0.601901803607214 74738.1008620067 -2044148.65256288
152 0.605907815631263 67010.0806548873 -1816597.03014506
153 0.609913827655311 60145.9997113045 -1616295.86024604
154 0.613919839679359 54030.5128352259 -1439396.98074395
155 0.617925851703407 48585.0458918077 -1283259.52106227
156 0.621931863727455 43725.827765239 -1145129.26179929
157 0.625937875751503 39388.5126989374 -1022891.00774842
158 0.629943887775551 35512.2705472387 -914572.253882913
159 0.633949899799599 32044.2752039669 -818473.394723055
160 0.637955911823647 28940.400215295 -733181.958267805
161 0.641961923847695 26157.1692428934 -657327.9949554
162 0.645967935871744 23662.6383198048 -589901.10035864
163 0.649973947895792 21420.9385116219 -529793.668697075
164 0.65397995991984 19409.0212834204 -476284.427600788
165 0.657985971943888 17597.2226678486 -428475.21157379
166 0.661991983967936 15968.9934262931 -385852.898052401
167 0.665997995991984 14499.7430081204 -347687.045770149
168 0.670004008016032 13177.670742827 -313614.459709394
169 0.67401002004008 11982.5055268011 -283043.836218856
170 0.678016032064128 10905.4299460739 -255706.713428567
171 0.682022044088176 9930.38852217359 -231142.008655133
172 0.686028056112225 9049.98266638961 -209129.202545109
173 0.690034068136273 8252.10477138145 -189325.018794011
174 0.694040080160321 7530.31557481603 -171541.932814584
175 0.698046092184369 6875.49109882533 -155524.403795431
176 0.702052104208417 6282.03780235778 -141113.066494955
177 0.706058116232465 5743.08964163077 -128117.829358008
178 0.710064128256513 5253.79438258325 -116403.2950625
179 0.714070140280561 4808.99645908397 -105828.261418571
180 0.718076152304609 4404.49061828562 -96277.6924534479
181 0.722082164328657 4036.41789132281 -87646.941201293
182 0.726088176352706 3701.13584736988 -79838.2465748267
183 0.730094188376754 3395.76862059494 -72774.3104768725
184 0.734100200400802 3117.16219971553 -66372.0159918672
185 0.73810621242485 2863.18596902998 -60574.5291736095
186 0.742112224448898 2631.10901098372 -55311.1416832892
187 0.746118236472946 2419.36524258184 -50540.3268080983
188 0.750124248496994 2225.5897814947 -46201.8890629741
189 0.754130260521042 2048.6436147238 -42265.7410414714
190 0.75813627254509 1886.4782544926 -38680.5950331802
191 0.762142284569138 1738.2771091396 -35424.8987893656
192 0.766148296593187 1602.29952640216 -32455.7180794246
193 0.770154308617235 1477.86813097015 -29755.4437732151
194 0.774160320641283 1363.61111236358 -27290.6169118104
195 0.778166332665331 1258.91077058733 -25045.5497778383
196 0.782172344689379 1162.70549152919 -22994.6061032776
197 0.786178356713427 1074.42854361002 -21123.7106872813
198 0.790184368737475 993.260595022064 -19413.2620851169
199 0.794190380761523 918.684914449577 -17850.6881632043
200 0.798196392785571 850.071427124106 -16421.0446857866
201 0.802202404809619 786.951308172446 -15113.1414192107
202 0.806208416833667 728.842286440968 -13915.6283060274
203 0.810214428857716 675.320667951021 -12818.5725763759
204 0.814220440881764 626.019542822886 -11813.3970407449
205 0.818226452905812 580.557203395471 -10891.3041722451
206 0.82223246492986 538.656688240281 -10045.8544285759
207 0.826238476953908 499.974979544734 -9269.26893146841
208 0.830244488977956 464.3051442566 -8556.75408161932
209 0.834250501002004 431.339553847155 -7901.44065686006
210 0.838256513026052 400.925681983979 -7299.80016008957
211 0.8422625250501 372.788082514761 -6745.7726287327
212 0.846268537074148 346.816382509697 -6236.79959235253
213 0.850274549098196 322.765993533662 -5767.57440796322
214 0.854280561122245 300.553905306512 -5336.17341849772
215 0.858286573146293 279.972429034984 -4938.14221719612
216 0.862292585170341 260.945491486363 -4571.75440525609
217 0.866298597194389 243.309139978484 -4233.52243444183
218 0.870304609218437 226.989648087184 -3921.81346697767
219 0.874310621242485 211.85805642662 -3633.90524265469
220 0.878316633266533 197.843869777067 -3368.26943856378
221 0.882322645290581 184.846114143357 -3122.78937546095
222 0.886328657314629 172.798079248756 -2896.0461493752
223 0.890334669338677 161.621155131275 -2686.40201530837
224 0.894340681362726 151.252725583317 -2492.54812926462
225 0.898346693386774 141.632032945309 -2313.22517998774
226 0.902352705410822 132.700685299054 -2147.23208930801
227 0.90635871743487 124.412154673798 -1993.60818511018
228 0.910364729458918 116.712274796069 -1851.25590725903
229 0.914370741482966 109.565838006105 -1719.44984588073
230 0.918376753507014 102.92281414285 -1597.19047811488
231 0.922382765531062 96.7569792116707 -1483.9373114886
232 0.92638877755511 91.0222874332899 -1378.78267099686
233 0.930394789579158 85.699622162509 -1281.33099167374
234 0.934400801603206 80.7467296145292 -1190.75992514522
235 0.938406813627255 76.1500944584556 -1106.78707898046
236 0.942412825651303 71.8718240127605 -1028.68326844715
237 0.946418837675351 67.9004379850742 -956.210802139754
238 0.950424849699399 64.2046113158875 -888.771614208577
239 0.954430861723447 60.7729107937268 -826.134852091459
240 0.958436873747495 57.5803306868323 -767.82604268978
241 0.962442885771543 54.6153773644211 -713.618469865062
242 0.966448897795591 51.8581935379868 -663.137414623529
243 0.970454909819639 49.2974369435035 -616.16352790382
244 0.974460921843687 46.9174404389139 -572.402527331104
245 0.978466933867736 44.7071662204961 -531.644615226006
246 0.982472945891784 42.6543528333363 -493.660286672021
247 0.986478957915832 40.7483742759089 -458.250685004378
248 0.99048496993988 38.9797325952455 -425.238386560165
249 0.994490981963928 37.338285450675 -394.436266753757
250 0.998496993987976 35.8167727404633 -365.708688805239
251 1.00250300601202 34.4055802992972 -338.880605164671
252 1.00650901803607 33.099255744062 -313.849820039253
253 1.01051503006012 31.8887366958867 -290.453379996727
254 1.01452104208417 30.7700266986715 -268.615766074886
255 1.01852705410822 29.7346229558202 -248.185899556602
256 1.02253306613226 28.7796974317623 -229.109458899504
257 1.02653907815631 27.8973390959023 -211.247457253562
258 1.03054509018036 27.0855450176414 -194.560526998958
259 1.03455110220441 26.337277314822 -178.926127847322
260 1.03855711422846 25.6505741700156 -164.306523305659
261 1.04256312625251 25.0197529752142 -150.603202073407
262 1.04656913827655 24.4427180055611 -137.777062796394
263 1.0505751503006 23.9149082069712 -125.749290707874
264 1.05458116232465 23.4341558180357 -114.480398473955
265 1.0585871743487 22.9968271024711 -103.907694997298
266 1.06259318637275 22.6007299488675 -93.9920440314615
267 1.06659919839679 22.2429965545333 -84.6839313048073
268 1.07060521042084 21.9214467050209 -75.9451170898932
269 1.07461122244489 21.6338445000023 -67.7368333694661
270 1.07861723446894 21.3780486654519 -60.0221310660787
271 1.08262324649299 21.1523439585601 -52.7709838501233
272 1.08662925851703 20.9546477071886 -45.9480085262141
273 1.09063527054108 20.7836730754498 -39.5302675671861
274 1.09464128256513 20.6374097533081 -33.4841259971128
275 1.09864729458918 20.5149229004315 -27.7923726381549
276 1.10265330661323 20.4142836332202 -22.4232310174629
277 1.10665931863727 20.3348459113572 -17.3640937642196
278 1.11066533066132 20.2747676224459 -12.5850978154543
279 1.11467134268537 20.2336393615266 -8.07731526859111
280 1.11867735470942 20.2097442992619 -3.81331354449411
281 1.12268336673347 20.2027584308763 0.214429060855536
282 1.12668937875751 20.2112142409306 4.02923541050524
283 1.13069539078156 20.2347549173305 7.63890603966619
284 1.13470140280561 20.272196603382 11.0623277004434
285 1.13870741482966 20.3231378448691 14.3077162155014
286 1.14271342685371 20.3866341197775 17.3902942841039
287 1.14671943887776 20.4622529017566 20.3184718536142
288 1.1507254509018 20.5492519105027 23.1044542981731
289 1.15473146292585 20.6471780810444 25.7566720571337
290 1.1587374749499 20.7554603969295 28.2848551310829
291 1.16274348697395 20.8736332784032 30.6973193142787
292 1.166749498998 21.0012711708697 33.0017735954878
293 1.17075551102204 21.1379019307997 35.2063150500789
294 1.17476152304609 21.2832240496018 37.3170128129256
295 1.17876753507014 21.4367630579891 39.3416661129277
296 1.18277354709419 21.5983237999318 41.2850242407535
297 1.18677955911824 21.7674323031636 43.1545293652598
298 1.19078557114228 21.9439852343878 44.9538799080091
299 1.19479158316633 22.1275107716993 46.690117534375
300 1.19879759519038 22.3179855683782 48.3661162358184
301 1.20280360721443 22.5149412027682 49.9884816396224
302 1.20680961923848 22.7184230828593 51.5594677080946
303 1.21081563126253 22.927989677103 53.0850559074589
304 1.21482164328657 23.1436812770251 54.5675060248866
305 1.21882765531062 23.3651458600848 56.0117544923171
306 1.22283366733467 23.5923978064372 57.4201981424769
307 1.22683967935872 23.825164537755 58.7969237748387
308 1.23084569138277 24.0634376062083 60.1443947237785
309 1.23485170340681 24.3070156915852 61.466016040586
310 1.23885771543086 24.555869681224 62.7642589236069
311 1.24286372745491 24.8098629606201 64.0419915923802
312 1.24686973947896 25.0689471215769 65.3016440907278
313 1.25087575150301 25.3330451305515 66.5456736533058
314 1.25488176352705 25.6020899636591 67.7764278274249
315 1.2588877755511 25.8760603002532 68.9960629973974
316 1.26289378757515 26.1548705750341 70.2068088903509
317 1.2668997995992 26.4385524274464 71.4106183709437
318 1.27090581162325 26.727001287192 72.6095726134565
319 1.27491182364729 27.020300001426 73.8055080319984
320 1.27891783567134 27.3183240460867 75.0003298654811
321 1.28292384769539 27.6212066313971 76.1958371290026
322 1.28692985971944 27.9288018853444 77.3937340018956
323 1.29093587174349 28.2412933730003 78.5958551425952
324 1.29494188376754 28.5585205092546 79.8036928582605
325 1.29894789579158 28.8806926502148 81.0191472185135
326 1.30295390781563 29.2076677276337 82.2435470547015
327 1.30695991983968 29.5396436565649 83.478812911094
328 1.31096593186373 29.876525379138 84.7262082625017
329 1.31497194388778 30.2184891491452 85.9876356384191
330 1.31897795591182 30.5654873645604 87.2643628450807
331 1.32298396793587 30.9176735733115 88.5582460102775
332 1.32698997995992 31.2750488189384 89.8706250018472
333 1.33099599198397 31.6377424817442 91.203282134516
334 1.33500200400802 32.0058061746123 92.5576967312294
335 1.33900801603206 32.3793432351653 93.9355500376428
336 1.34301402805611 32.7584585099636 95.3385295231957
337 1.34702004008016 33.143227000323 96.7681874571001
338 1.35102605210421 33.533810212492 98.2264911425126
339 1.35503206412826 33.9302520845379 99.7148344921381
340 1.3590380761523 34.3327750088244 101.235541143674
341 1.36304408817635 34.7413886770507 102.789814942788
342 1.3670501002004 35.1563814505225 104.380419179322
343 1.37105611222445 35.5777251007059 106.008332663155
344 1.3750621242485 36.0057799737427 107.676850735634
345 1.37906813627255 36.4404757119553 109.386687917432
346 1.38307414829659 36.8822516948393 111.141775702552
347 1.38708016032064 37.331015451084 112.942686461322
348 1.39108617234469 37.7872191495151 114.793606204713
349 1.39509218436874 38.2508227064026 116.695469233815
350 1.39909819639279 38.7222592396227 118.652521456793
351 1.40310420841683 39.2015549988482 120.666210565162
352 1.40711022044088 39.6891187212186 122.740809154492
353 1.41111623246493 40.1850509625345 124.878401012997
354 1.41512224448898 40.6897326522519 127.083265201687
355 1.41912825651303 41.2033480629122 129.358266364456
356 1.42313426853707 41.7262463238479 131.707666579742
357 1.42714028056112 42.2587065164459 134.135284022697
358 1.43114629258517 42.801041333417 136.645336136844
359 1.43515230460922 43.3536377439432 139.242802646292
360 1.43915831663327 43.9167666277628 141.931823350199
361 1.44316432865731 44.4909382904595 144.718792391439
362 1.44717034068136 45.0763755650461 147.607732185082
363 1.45117635270541 45.6737303935855 150.606761325397
364 1.45518236472946 46.2831703284021 153.71973672723
365 1.45918837675351 46.9055107098267 156.956884742211
366 1.46319438877756 47.5408554001895 160.321838308882
367 1.4672004008016 48.1902091407225 163.827409425542
368 1.47120641282565 48.8536218022965 167.477140112106
369 1.4752124248497 49.5322602786078 171.286416160194
370 1.47921843687375 50.2262106440723 175.259706046018
371 1.4832244488978 50.9366907708137 179.414053647131
372 1.48723046092184 51.6639507485136 183.75642292792
373 1.49123647294589 52.4092269681307 188.305399482522
374 1.49524248496994 53.1729674892754 193.071177730982
375 1.49924849699399 53.9564287001502 198.074165247303
376 1.50325450901804 54.7602990359724 203.32875906145
377 1.50726052104208 55.5858570966669 208.857552829662
378 1.51126653306613 56.4340851384928 214.680447072259
379 1.51527254509018 57.3062873347306 220.822703565067
380 1.51927855711423 58.2038078202556 227.311489511455
381 1.52328456913828 59.127981489222 234.175386337316
382 1.52729058116232 60.0806020367935 241.451252054878
383 1.53129659318637 61.0630430168002 249.171888523526
384 1.53530260521042 62.0776621487587 257.387231131164
385 1.53930861723447 63.1258839853316 266.135578714021
386 1.54331462925852 64.2107819472582 275.48476146712
387 1.54732064128257 65.3338509479505 285.480433763771
388 1.55132665330661 66.4990845462726 296.215315867614
389 1.55533266533066 67.7080787658703 307.745204991775
390 1.55933867735471 68.9660282801899 320.198111461999
391 1.56334468937876 70.2748459105874 333.647680453414
392 1.56735070140281 71.6408241024246 348.262943799832
393 1.57135671342685 73.0668865741501 364.155637529579
394 1.5753627254509 74.5604845669317 381.548060060534
395 1.57936873747495 76.1261452615906 400.615120642656
396 1.583374749499 77.7728753610232 421.658204061308
397 1.58738076152305 79.507551083474 444.954786597846
398 1.59138677354709 81.3414224332515 470.930919320161
399 1.59539278557114 83.2849207499237 500.037617811398
400 1.59939879759519 85.3526851438837 532.908772238077
401 1.60340480961924 87.5607535941021 570.304780379084
402 1.60741082164329 89.9291833901938 613.230737112872
403 1.61141683366733 92.4833364999193 663.037091492226
404 1.61542284569138 95.2525677386127 721.452152051468
405 1.61942885771543 98.2788739289217 791.056944236199
406 1.62343486973948 101.609099328545 875.158741437382
407 1.62744088176353 105.317930929731 979.241394344099
408 1.63144689378758 109.489506127436 1110.64490435716
409 1.63545290581162 114.2724553017 1283.0496579842
410 1.63945891783567 119.846521999934 1516.79725658888
411 1.64346492985972 126.569491189281 1856.43618647248
412 1.64747094188377 134.94137458405 2383.35409999338
413 1.65147695390782 141.366609037692 2876.98606809493
414 1.65548296593186 139.095264225705 2698.37109675407
415 1.65948897795591 139.068337866516 2696.25365036313
416 1.66349498997996 139.085161307452 2697.57661920728
417 1.66750100200401 139.082938275253 2697.40180346356
418 1.67150701402806 139.084152415754 2697.49728155642
419 1.6755130260521 139.083960214076 2697.48216711981
420 1.67951903807615 139.084046096246 2697.48892075809
421 1.6835250501002 139.084030163679 2697.48766784615
422 1.68753106212425 139.084036107935 2697.48813529306
423 1.6915370741483 139.084034830042 2697.48803480155
424 1.69554308617234 139.084035231446 2697.4880663674
425 1.69954909819639 139.084035131724 2697.48805852536
426 1.70355511022044 139.084035158041 2697.48806059493
427 1.70756112224449 139.084035150444 2697.48805999747
428 1.71156713426854 139.084035152105 2697.48806012814
429 1.71557314629259 139.084035151539 2697.48806008361
430 1.71957915831663 139.084035151639 2697.48806009144
431 1.72358517034068 139.084035151597 2697.4880600882
432 1.72759118236473 139.084035151603 2697.48806008863
433 1.73159719438878 139.0840351516 2697.4880600884
434 1.73560320641283 139.0840351516 2697.48806008842
435 1.73960921843687 139.0840351516 2697.4880600884
436 1.74361523046092 139.0840351516 2697.4880600884
437 1.74762124248497 139.0840351516 2697.4880600884
438 1.75162725450902 139.0840351516 2697.4880600884
439 1.75563326653307 139.0840351516 2697.4880600884
440 1.75963927855711 139.0840351516 2697.4880600884
441 1.76364529058116 139.0840351516 2697.4880600884
442 1.76765130260521 139.0840351516 2697.4880600884
443 1.77165731462926 139.0840351516 2697.4880600884
444 1.77566332665331 139.0840351516 2697.4880600884
445 1.77966933867735 139.0840351516 2697.4880600884
446 1.7836753507014 139.0840351516 2697.4880600884
447 1.78768136272545 139.0840351516 2697.4880600884
448 1.7916873747495 139.0840351516 2697.4880600884
449 1.79569338677355 139.0840351516 2697.4880600884
450 1.7996993987976 139.0840351516 2697.4880600884
451 1.80370541082164 139.0840351516 2697.4880600884
452 1.80771142284569 139.0840351516 2697.4880600884
453 1.81171743486974 139.0840351516 2697.4880600884
454 1.81572344689379 139.0840351516 2697.4880600884
455 1.81972945891784 139.0840351516 2697.4880600884
456 1.82373547094188 139.0840351516 2697.4880600884
457 1.82774148296593 139.0840351516 2697.4880600884
458 1.83174749498998 139.0840351516 2697.4880600884
459 1.83575350701403 139.0840351516 2697.4880600884
460 1.83975951903808 139.0840351516 2697.4880600884
461 1.84376553106212 139.0840351516 2697.4880600884
462 1.84777154308617 139.0840351516 2697.4880600884
463 1.85177755511022 139.0840351516 2697.4880600884
464 1.85578356713427 139.0840351516 2697.4880600884
465 1.85978957915832 139.0840351516 2697.4880600884
466 1.86379559118236 139.0840351516 2697.4880600884
467 1.86780160320641 139.0840351516 2697.4880600884
468 1.87180761523046 139.0840351516 2697.4880600884
469 1.87581362725451 139.0840351516 2697.4880600884
470 1.87981963927856 139.0840351516 2697.4880600884
471 1.88382565130261 139.0840351516 2697.4880600884
472 1.88783166332665 139.0840351516 2697.4880600884
473 1.8918376753507 139.0840351516 2697.4880600884
474 1.89584368737475 139.0840351516 2697.4880600884
475 1.8998496993988 139.0840351516 2697.4880600884
476 1.90385571142285 139.0840351516 2697.4880600884
477 1.90786172344689 139.0840351516 2697.4880600884
478 1.91186773547094 139.0840351516 2697.4880600884
479 1.91587374749499 139.0840351516 2697.4880600884
480 1.91987975951904 139.084035151599 2697.4880600884
481 1.92388577154309 139.084035151601 2697.4880600884
482 1.92789178356713 139.084035151584 2697.4880600884
483 1.93189779559118 139.084035151627 2697.4880600884
484 1.93590380761523 139.084035151398 2697.4880600884
485 1.93990981963928 139.084035152097 2697.4880600884
486 1.94391583166333 139.084035149045 2697.4880600884
487 1.94792184368737 139.084035160004 2697.4880600884
488 1.95192785571142 139.084035120158 2697.4880600884
489 1.95593386773547 139.084035286067 2697.4880600884
490 1.95993987975952 139.084034778521 2697.4880600884
491 1.96394589178357 139.084037220496 2697.4880600884
492 1.96795190380762 139.08403093713 2697.4880600884
493 1.97195791583166 139.084066033327 2697.4880600884
494 1.97596392785571 139.083990898761 2697.4880600884
495 1.97996993987976 139.084484696181 2697.4880600884
496 1.98397595190381 139.083625809441 2697.4880600884
497 1.98798196392786 139.090437004454 2697.4880600884
498 1.9919879759519 139.081222620823 2697.4880600884
499 1.99599398797595 139.173376881875 2697.4880600884
500 2 139.0840351516 2697.4880600884
# Bond potential fene for bond type 1: i,r,energy,force

FENE
N 500 EQ 1.12246

1 0.001 4e+36 4.8e+40
2 0.0050060120240481 1.61494349082981e+28 3.87120961692913e+31
3 0.00901202404809619 1.39377248917017e+25 1.85588384815504e+28
4 0.0130180360721443 1.6885516285581e+23 1.55650356401332e+26
5 0.0170240480961924 6.75003368844056e+21 4.75799902611819e+24
6 0.0210300601202405 5.34532136452696e+20 3.05010332877567e+23
7 0.0250360721442886 6.59577236878702e+19 3.16140918507643e+22
8 0.0290420841683367 1.11103217013708e+19 4.59071255642892e+21
9 0.0330480961923848 2.3566909714312e+18 8.55731341102573e+20
10 0.0370541082164329 5.97067736153898e+17 1.93360822537397e+20
11 0.041060120240481 1.74187660951496e+17 5.09071070465467e+19
12 0.0450661322645291 5.69975966892639e+16 1.51770548917155e+19
13 0.0490721442885772 2.05134901842576e+16 5.01632621721598e+18
14 0.0530781563126253 7.99963243347734e+15 1.80857054848724e+18
15 0.0570841683366734 3.34096432520318e+15 7.02323845021222e+17
16 0.0610901803607214 1.48048182703682e+15 2.90812406859234e+17
17 0.0650961923847695 690864568725162 1.27355761318741e+17
18 0.0691022044088176 337409356290079 5.85931017764864e+16
19 0.0731082164328657 171579602972232 2.81631189121344e+16
20 0.0771142284569138 90457730414695 1.40764279281347e+16
21 0.0811202404809619 49261668127585.7 7.28720844822631e+15
22 0.08512625250501 27624704847673.2 3.89417496351808e+15
23 0.0891322645290581 15908912285370.3 2.14183939223689e+15
24 0.0931382765531062 9386881576454.96 1.20941271249369e+15
25 0.0971442885771543 5663075619105.2 699546385909744
26 0.101150300601202 3487011607917 413683018780416
27 0.105156312625251 2187939039718.33 249678650488677
28 0.109162324649299 1396966365708.68 153565899458053
29 0.113168336673347 906483463611.727 96120640350729.6
30 0.117174348697395 597129172153.496 61152969215474.8
31 0.121180360721443 398907061951.26 39502212190194.9
32 0.125186372745491 270006144657.752 25882050100858.8
33 0.129192384769539 185018430400.393 17185427224785.9
34 0.133198396793587 128253608990.623 11554550523384.3
35 0.137204408817635 89875287282.6564 7860585925677.35
36 0.141210420841683 63629070630.8787 5407192117915.94
37 0.145216432865731 45484847765.9108 3758670569689.48
38 0.14922244488978 32812957875.1654 2638729505536.53
39 0.153228456913828 23877081053.5749 1869932208899.94
40 0.157234468937876 17517830939.3231 1336955954670.64
41 0.161240480961924 12952790470.7469 963993970001.197
42 0.165246492985972 9648596253.23718 700676496475.609
43 0.16925250501002 7238165687.083 513191867752.347
44 0.173258517034068 5466547543.29207 378621835563.253
45 0.177264529058116 4155128146.06193 281287584912.972
46 0.181270541082164 3177735970.89203 210367927811.239
47 0.185276553106212 2444538457.68337 158331177369.212
48 0.189282565130261 1891092029.39004 119892849981.854
49 0.193288577154309 1470832013.98949 91316541499.4771
50 0.197294589178357 1149879361.32387 69940890439.7753
51 0.201300601202405 903421102.136744 53856838160.7216
52 0.205306613226453 713168579.545722 41685668443.4073
53 0.209312625250501 565559591.005701 32425184350.9353
54 0.213318637274549 450477870.322638 25342319812.4648
55 0.217324649298597 360334948.904959 19897637845.7916
56 0.221330661322645 289407616.474534 15691886114.3587
57 0.225336673346693 233356870.92548 12427918238.8868
58 0.229342685370742 188876564.221301 9883392071.73636
59 0.23334869739479 153435306.127126 7891075996.11292
60 0.237354709418838 125085825.306442 6324560003.37441
61 0.241360721442886 102323406.160462 5087829702.38411
62 0.245366733466934 83980227.0145164 4107617466.98064
63 0.249372745490982 69146102.8283761 3327761435.99391
64 0.25337875751503 57108748.4205864 2705024124.58674
65 0.257384769539078 47308545.264184 2205977717.65627
66 0.261390781563126 39304136.5407871 1804672883.55729
67 0.265396793587174 32746144.4152162 1480885965.88986
68 0.269402805611222 27357007.4201405 1218795169.85043
69 0.273408817635271 22915449.6507964 1005976421.25962
70 0.277414829659319 19244470.3507749 832638508.293116
71 0.281420841683367 16202020.2274998 691038114.553235
72 0.285426853707415 13673736.4847799 575030666.631684
73 0.289432865731463 11567261.5011933 479724140.852182
74 0.293438877755511 9807784.31977444 401211233.850506
75 0.297444889779559 8334529.80125124 336361408.594367
76 0.301450901803607 7097984.82836999 282658861.997901
77 0.305456913827655 6057699.74729622 238075841.379396
78 0.309462925851703 5180540.27391237 200973268.302589
79 0.313468937875752 4439293.31631273 170022530.913723
80 0.3174749498998 3811551.74802403 144143741.401568
81 0.321480961923848 3278819.73057494 122456842.378126
82 0.325486973947896 2825792.9403151 104242772.336063
83 0.329492985971944 2439777.9114149 88912530.6846438
84 0.333498997995992 2110222.34879541 75982465.3573629
85 0.33750501002004 1828334.20820256 65054476.5482493
86 0.341511022044088 1586771.97767322 55800115.6705963
87 0.345517034068136 1379392.22345887 47947779.3572952
88 0.349523046092184 1201043.31174723 41272369.4808086
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