//This file is the model of polymer molecule with excluded volume //and attractive forces between monomers. //This File //contains a collapsed configuration of a polymer at low temperature. //You have to increase temperature to a high value (3.0) //in order to reproduce the swelling phenomenon. //This file is used as starting configuration for the movie Polymer. A.SYSTEM SIZE 384 384 384 B.NUMBER OF ATOMS 256 C.TYPES OF ATOMS //type, mass, elastic radius, interaction radius 1 1 4.000000 5.640000 2 1 4.000000 5.640000 "CH2" D.NON-ELASTIC COLLISIONS //pair types, repulsive dist, interaction distance, energy 1 1 8.000000 11.280000 -1.000000 2 2 8.000000 11.280000 -1.000000 E.ELASTIC COLLISIONS F.LINKED PAIRS //pair types, repulsive dist, attractive distance //1 1 8.000000 11.280000 G.REACTIONS H.LIST OF ATOMS //number, type, x, y, z, Vx, Vy, Vz 0 1 1 179.9754834422678 177.7920104981997 217.6997788777643 -0.1419888610695517 -0.1099260682697872 -0.03318346130105727 2 1 173.9796387347110 183.4621834528421 220.0378311854905 -0.05944718241908923 0.3621572147383882 -0.6452706863843108 3 1 175.3878580881845 181.0378453090309 209.9499624623491 -0.18435416105344823 -0.383895751246962 -0.5483230303244652 4 1 179.5929738806175 179.1699285750695 199.6856770449565 0.1180337434526038 0.018213130817893008 -0.13579274605182437 5 1 176.9069609721719 184.5331783288359 192.9191763468089 -0.24895374874907034 0.13382563490340849 -0.5544223377204192 6 1 179.4941576559112 194.0473150490568 194.8972114666155 -0.22493063082908601 -0.760664535590441 0.4525920316521575 7 1 184.3192223004628 190.9527654305526 188.8147751955290 0.2757942168937567 0.27427246959750207 0.23721378986652872 8 1 188.0831604302294 198.0107156377475 185.7459170048496 0.07730619417144105 0.48102706030922704 -0.2608610026030789 9 1 193.4683923717815 193.2141032349066 192.9240111307077 -0.47112865238676116 -0.5521526844699957 0.6057073700008505 10 1 186.0636968786094 187.5155400185064 197.2326952004334 -0.15854191632954298 0.15530756230939563 -0.1944979629191595 11 1 184.7493665650589 191.7463863155649 206.5400735283285 0.2934936580893651 -0.2311841359825786 0.17360849405318649 12 1 184.3402588599811 181.0330730802519 206.3000511269572 -0.7441693593558295 -0.5083452565121359 -0.04690834391470796 13 1 180.7095356257604 172.5056441968386 209.7710203680006 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0.7165091466335546 22 1 173.6988460146382 144.2501161385372 231.6202304961236 0.8528038947128052 -0.08095111622568683 -0.1820434744898426 23 1 182.8666834626218 142.7017649930727 231.7616614741663 0.5110253056377104 -0.4635284577454141 -0.29902184409424665 24 1 185.5262535963161 136.3262189159559 236.5626001292155 0.5945482238481747 0.1719856310811296 -0.45587432602341166 25 1 177.7243361612780 135.4106310732539 232.9123851221188 0.03357017979792154 -0.728174502749055 -0.8656401517734441 26 1 176.9920605330580 132.5899514451689 243.8028400506022 0.08152106624317268 0.4986418476010987 0.08324802243137984 27 1 184.3098151892199 129.1371605395073 243.3843949193445 -0.3679644681030676 -0.44003509477658237 -0.6977992586981375 28 1 185.9007101777265 137.8886498497428 244.9784030349315 0.16743159141419497 -0.1319694221845724 0.5454812564769576 29 1 177.9697575925715 142.7296068597365 240.3463434186548 -0.07595601478956429 0.15793569821895148 0.05910737172504198 30 1 174.0707648169906 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217.5400517248749 -0.2071258789463077 0.2857167939880874 -0.28679478948998793 181 2 197.0015378403467 192.0762530743077 208.7238126131258 0.06705398415641463 0.26197054194375274 0.04807883534511079 182 2 189.7737185717656 189.5545792606033 213.1113180654556 -0.5883875925597913 -0.453033888979489 -0.21346734330389458 183 2 182.7664832253365 196.0040922538257 215.1755619798695 -0.514413184261644 -0.9081935036860993 -0.4443909203017645 184 2 179.9298704694847 201.9570913270904 208.9376769873143 -0.4014361130390471 0.11331970270695711 0.4402670337699594 185 2 178.4181646443603 203.1285508457631 200.0294334810847 1.4456667861176642 -0.16660930090807807 -0.2653542567300454 186 2 171.6740842893437 194.6759035947616 199.4801165662290 -0.8688639699166464 -0.4457236066786056 0.033898383851293436 187 2 164.5190565446750 194.8041600626977 195.6296830414258 0.5576342057826209 -0.23386895828397813 -0.48689605269092184 188 2 162.8942279583581 184.2900140970571 194.6090836044723 -0.015865885561960717 1.169194671137929E-4 0.4617832434684302 189 2 154.6772405446991 178.8157912945476 190.0155176653901 0.4053332171094695 0.11821642566596414 0.5544796804238864 190 2 150.7528756046406 170.3559044070463 183.9768825073637 -0.4896938876889703 0.9228134764858874 0.1998753652916414 191 2 156.2537841780874 169.4698136404795 189.7505281378276 0.32242253637983287 -0.2725791486607203 0.5152638522789041 192 2 146.1040182208167 165.4413390433530 188.7053892811798 -0.24708302293210424 -0.04263068863299163 0.40989775043735976 193 2 150.1005215725260 167.6662817278485 195.4018290870146 -1.0838072688530511 0.19116246751823512 0.5798945516064445 194 2 143.0805950825851 165.3622761143862 201.3462931957801 0.687944285731056 1.1548118557796858 -0.13390513546292215 195 2 153.1723564187941 161.0576735155544 203.5696189937796 0.13526521207823458 0.5980921211767738 -0.14366441250617853 196 2 151.2249375956413 157.5083909112786 210.8236897576332 0.837617470231519 -0.06285649904463621 -0.2638292101364104 197 2 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214.2338799708882 -0.6200050776207922 0.22082338933619824 0.40402513172269555 206 2 128.7663308289444 177.0520830267670 218.4877382935636 0.2099562766013323 0.007096196250450173 0.1331069396934226 207 2 134.0312883242586 182.5610286122296 212.9108101159175 0.13782855700052063 -0.15004848024091982 -0.3712408800917341 208 2 144.3506016572289 181.1784173626055 213.7191733152035 0.8054524007634899 0.29688542090183145 -0.29195868088794064 209 2 152.8124440683163 179.8244916551721 207.0196020357398 -0.1127210223060119 -0.33097511398210167 0.32004271681862534 210 2 162.2297747723018 179.4129436243981 212.2070041411645 -0.21463708499622355 0.787764998577377 0.8599725219128679 211 2 161.4407618070124 170.6782812706668 207.6368517174898 -0.3084153884093333 -0.807038386420247 -0.34186920062701026 212 2 158.0236343397357 168.7441882569716 197.8568211401303 0.3677275858949189 1.0620604590537988 -0.9326290337900662 213 2 162.7751267747131 163.8973142260086 190.0679827487506 0.3636669350196458 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222 2 172.7458905194871 173.6830496113942 204.5913647489385 0.5421595852190919 -1.120553196413809 0.12893563365815042 223 2 165.7746484991287 171.6067337419419 197.4543293559180 -0.021830540879389848 0.016405979826852123 1.3679824616800695 224 2 171.6119513161674 162.8990827405634 194.9001062704274 0.705613246245648 -0.23280365593244262 -0.13488304256983058 225 2 177.2337505555611 158.7079652835678 189.7975515125975 0.7489870992481132 -0.7728157538613437 -0.9333732646338939 226 2 180.2478141043322 159.3650772273087 199.6100174022180 -0.25714961308826656 0.7973904709698967 0.5546728001916903 227 2 184.7333025436992 161.6896560935713 189.8867896803137 -0.12976533410942181 -0.5810639945612467 -0.4575784491592985 228 2 190.8951978663044 162.0552089679922 196.8169216507901 -0.7492961053045973 -0.2783407356843583 -0.2264368432442769 229 2 190.1754042233169 168.0663942347719 188.2040720014751 -0.20507323588585705 0.1642557307074573 0.7963273380073468 230 2 192.0550572799338 174.5709366267839 196.3345963413246 0.7919812491528928 -0.26365429269480367 -0.2209868959506926 231 2 192.0427163874895 182.9714834172931 190.4318555370494 1.1395230586894225 -1.0675350566715147 -0.5219408995641568 232 2 199.0155022543008 184.3409949157374 195.0801007988547 -0.45299318675139816 -0.7358298165675066 0.9707393125854747 233 2 200.2140081864312 175.2703746297521 189.5984832582363 0.37099837184895085 -0.3077837446326133 -0.38618609244502533 234 2 197.2716850013567 179.0318742308087 181.2009340620276 -0.450745716877684 -0.35211680492909564 -0.38621877736058224 235 2 191.5548771056207 175.6952067424116 185.7006077176173 -0.2842713026463227 -0.09668186262052463 0.6200715029230652 236 2 184.5316384462270 178.1049114762081 191.9806446590566 0.5772900426522982 0.4496107993718021 0.22177124503259474 237 2 182.4826064258079 169.9529926829747 189.9128388448842 0.2126250274430647 -0.2451600627715581 -0.18419136672527045 238 2 174.3736795709800 166.9780721139472 188.2603974904888 -0.22143328677818724 -0.4358221565735226 0.06325739827360946 239 2 174.4398689582075 174.5134108435687 193.8030754227152 -0.27954210094507026 -0.23642844461601892 -0.7381700996680293 240 2 170.3483156752188 180.6011503854108 201.0654199619472 0.3875366408964782 0.4490801205162126 0.48029694257604927 241 2 176.9382504007716 186.6730936381496 201.6196477251251 -0.18593656660446053 -0.4870905600827993 -0.32045276744689327 242 2 175.3315023993476 190.1783864981175 210.2867397765573 -0.4780626523134878 0.532614566812058 -0.16423203079193907 243 2 181.0075358002831 187.1660306758115 215.8352081731568 -0.4851688679573051 0.7400025529727682 -0.09591006081770835 244 2 186.9959701263306 180.4969310250330 214.4179142046602 -0.4949248636750549 -0.3714127263307553 0.47329539699160944 245 2 196.1512124601735 182.6337082731750 213.4268149194100 0.09686521535212478 -0.5860043322338089 -1.023115698988702 246 2 194.9478717979338 173.6784750559279 219.1258173888351 0.21814801524980526 -0.3932221049579815 -0.9640163184401445 247 2 185.6642342100189 169.4362312456014 219.2496178560878 -0.3767625527984754 0.45402432106508184 -0.236809153002527 248 2 176.2378300518165 166.5923642948799 224.7284928541887 0.5442645713905004 -0.06313561151026297 -0.8335873214036709 249 2 178.9029925401097 165.7353006412145 216.8960399773308 -0.014361897371449665 -0.25379721172204794 0.23674083039952593 250 2 175.3041776855928 156.3491559191457 215.3238461356949 -0.2018037332674734 0.3947896765343939 0.6969790645373253 251 2 176.5248480962660 151.2544481923976 207.5739958363710 0.4309296584476018 0.6707022120010137 -0.7208640601690415 252 2 176.5239730037423 162.3164802113617 208.7212648370395 -0.9048624974890837 0.36983742387597573 0.306998356150018 253 2 182.8269051926643 156.7317673036947 208.4541044857329 -0.0815676422145893 -0.3447100415921553 0.8677127718792138 254 2 186.5215853264524 148.6380262682948 208.8480237158863 0.3906391265130679 0.9642312108567372 -0.2813150653541797 255 2 189.1383313543472 142.0704769143356 202.7024216767116 -1.022299692552191 0.04138567486533783 0.7645464250766698 256 2 186.3823868202662 135.3610396580912 198.3342018559981 -0.16717827076831854 -0.05187331319575362 -0.24808425088507477 I.LIST OF BONDS 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 23 24 24 25 25 26 26 27 27 28 28 29 29 30 30 31 31 32 32 33 33 34 34 35 35 36 36 37 37 38 38 39 39 40 40 41 41 42 42 43 43 44 44 45 45 46 46 47 47 48 48 49 49 50 50 51 51 52 52 53 53 54 54 55 55 56 56 57 57 58 58 59 59 60 60 61 61 62 62 63 63 64 64 65 65 66 66 67 67 68 68 69 69 70 70 71 71 72 72 73 73 74 74 75 75 76 76 77 77 78 78 79 79 80 80 81 81 82 82 83 83 84 84 85 85 86 86 87 87 88 88 89 89 90 90 91 91 92 92 93 93 94 94 95 95 96 96 97 97 98 98 99 99 100 100 101 101 102 102 103 103 104 104 105 105 106 106 107 107 108 108 109 109 110 110 111 111 112 112 113 113 114 114 115 115 116 116 117 117 118 118 119 119 120 120 121 121 122 122 123 123 124 124 125 125 126 126 127 127 128 //128 129 129 130 130 131 131 132 132 133 133 134 134 135 135 136 136 137 137 138 138 139 139 140 140 141 141 142 142 143 143 144 144 145 145 146 146 147 147 148 148 149 149 150 150 151 151 152 152 153 153 154 154 155 155 156 156 157 157 158 158 159 159 160 160 161 161 162 162 163 163 164 164 165 165 166 166 167 167 168 168 169 169 170 170 171 171 172 172 173 173 174 174 175 175 176 176 177 177 178 178 179 179 180 180 181 181 182 182 183 183 184 184 185 185 186 186 187 187 188 188 189 189 190 190 191 191 192 192 193 193 194 194 195 195 196 196 197 197 198 198 199 199 200 200 201 201 202 202 203 203 204 204 205 205 206 206 207 207 208 208 209 209 210 210 211 211 212 212 213 213 214 214 215 215 216 216 217 217 218 218 219 219 220 220 221 221 222 222 223 223 224 224 225 225 226 226 227 227 228 228 229 229 230 230 231 231 232 232 233 233 234 234 235 235 236 236 237 237 238 238 239 239 240 240 241 241 242 242 243 243 244 244 245 245 246 246 247 247 248 248 249 249 250 250 251 251 252 252 253 253 254 254 255 255 256 K.LIST OF PARAMETERS Temperature No. of type1 Average Mass Average Radius Potential Energy