*** ***
output from eigenvector calculation:
STDOUT:
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2404131504204000752.atom
Pdbmat> Distance cutoff = 10.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404131504204000752.atom to be opened.
Openam> File opened: 2404131504204000752.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 103.388968 +/- 9.434162 From: 82.510000 To: 123.336000
= -69.120205 +/- 8.284532 From: -89.126000 To: -49.877000
= -263.967422 +/- 9.511788 From: -283.950000 To: -243.076000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.8600 % Filled.
Pdbmat> 15213 non-zero elements.
Pdbmat> 1567 atom-atom interactions.
Pdbmat> Number per atom= 16.94 +/- 5.14
Maximum number = 28
Minimum number = 5
Pdbmat> Matrix trace = 31340.0
Pdbmat> Larger element = 106.787
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 185 atoms in your structure)
Diagstd> Version 1.05, August 2004.
Diagstd> Matrix to be read from file: pdbmat.sdijf
Diagstd> Lecture de la matrice -Format CERFACS-
Diagstd> Matrix dimension (Nord) = 555
Diagstd> Number of non-zero elements 15213
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 31340.0000006
%Diagstd-Wn: Nb on non-zero elements there: 555
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 555 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 31340.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.3949875 0.7760919 0.8750322 0.8951570
1.0791939 1.4436504 1.5968259 1.9318060 1.9898522
2.1007440 2.3325499 2.4140944 2.4312780 2.9102633
3.0515550 3.2724946 3.6871204 3.7344178 3.8009713
3.9301395 4.3795130 4.6853609 4.8570813 5.0069833
5.4678288 5.5745057 5.7797709 6.2256160 6.4999436
6.6675106 6.7677991 7.2005041 7.3063358 7.4242361
7.8732711 7.9282827 8.0333843 8.2513622 8.4937855
8.8355032 8.9489607 9.1057395 9.2934242 9.3373024
9.6300048 9.9771709 10.1974731 10.4593960 10.5979059
10.8424299 11.1666191 11.2614511 11.2941826 11.5493127
12.0440504 12.2572117 12.5837185 12.8280239 13.1261136
13.2781307 13.4237717 13.6778487 14.0108429 14.0824066
14.3383782 14.6511945 14.8122407 14.8345635 15.0751266
15.1275191 15.2236752 15.4547012 15.7818974 15.9171663
16.3957560 16.6649542 16.9315905 17.0520211 17.2505150
17.2736096 17.5849640 17.8936091 18.1599909 18.2358694
18.5039242 18.6945727 19.1334838 19.3861822 19.4313208
19.8155568 20.0290293 20.3282865 20.4373612 20.5772744
20.6819944 20.9580556 21.3486798 21.5368320 21.7997010
21.8406920 22.3256598 22.3846202 22.6171785 22.9184177
22.9809663 23.2084145 23.3506496 23.6746187 23.9613834
24.0752344 24.2749381 24.5925772 24.6338734 24.8171883
24.8539022 25.0938047 25.5929658 25.7081159 25.9352564
26.1102877 26.1479753 26.2860175 26.5230956 26.7253083
26.9320196 27.0196274 27.4583225 27.6150842 27.7243876
28.0049178 28.0197054 28.2116342 28.4715925 28.5375174
28.5532068 28.8444211 29.1015352 29.2127496 29.4133711
29.4684474 29.5777168 29.8388832 29.8937804 29.9542571
30.1892824 30.5479392 30.5851114 30.7457283 30.9594944
31.2387725 31.4520435 31.5670314 31.7419166 31.9454414
32.0295849 32.2213995 32.3338778 32.6007817 32.8389895
32.9290507 33.0994174 33.2975201 33.3397891 33.5799512
33.8770245 33.9846897 34.1892843 34.3918508 34.7234263
34.8218797 35.0058572 35.1926454 35.3033092 35.4311740
35.6144611 35.7375157 35.8851736 36.0011164 36.1569237
36.2507536 36.3564807 36.6204893 36.7706809 36.9100068
37.2365337 37.4288540 37.5882014 37.9369292 38.0230790
38.1850864 38.2635173 38.3859906 38.8008174 38.8779759
39.0060090 39.2915888 39.3783168 39.5513658 39.7935644
40.0097290 40.3481496 40.6468839 40.6721157 40.8328669
40.9536400 41.0892914 41.2121803 41.4411790 41.5217955
41.8423712 42.0500437 42.2420744 42.3173083 42.4167919
42.5836227 42.6577503 42.7611843 42.9110487 43.0636804
43.2866254 43.4085434 43.4122823 43.6303810 43.8627066
43.9566370 44.0469338 44.3926437 44.4345753 44.5206819
44.7208066 44.8022949 44.9673803 45.1149429 45.3325730
45.4217738 45.4714781 45.6871654 45.8954946 46.1165486
46.3327070 46.4632877 46.6392600 46.8025761 46.8889319
47.2793827 47.3127606 47.4034579 47.5295541 47.8553308
47.9230278 48.1538307 48.2476048 48.3580587 48.8058973
48.9565558 49.2007049 49.4805366 49.5593443 49.5792226
49.7336490 49.9520767 50.0121859 50.2388513 50.4081399
50.5746603 50.6949570 50.9375059 50.9841077 51.2259559
51.4273369 51.6162117 51.8774494 51.9193052 52.2243952
52.6758668 52.7218616 52.8693252 53.0635473 53.1774200
53.3476103 53.4562342 53.6488520 53.8204143 53.9256251
54.2762414 54.3647494 54.5028224 54.5957450 54.7950169
55.0511094 55.2650271 55.6179715 55.8295734 56.0871583
56.1498945 56.4249669 56.6712342 56.8244533 56.9219614
57.1266154 57.3415568 57.5396677 57.6734777 57.8038111
58.0453762 58.3329500 58.3713756 58.6717805 58.7318087
58.9577764 59.1576617 59.4462237 59.6777719 59.7958839
60.1724327 60.2867575 60.5128703 60.6797598 60.8427757
61.0798578 61.2050347 61.4892451 61.5658802 61.8892976
61.9462037 62.0633316 62.3799310 62.4827145 62.5173617
62.6085353 63.1807562 63.2685744 63.4156597 63.6867770
63.8431395 64.0117999 64.2957499 64.3814536 64.6882351
64.9695715 65.1039151 65.2156535 65.5087769 65.8102594
65.9407209 66.1065225 66.3929702 66.5537177 66.6435491
66.8387071 67.0505784 67.3565278 67.6295241 67.9204390
68.0048964 68.1004780 68.2631113 68.4409186 68.4714809
69.0292532 69.1877491 69.4047998 69.5081135 69.7159978
69.8790465 70.3164956 70.3558805 70.5492810 70.8470380
71.0073555 71.1843994 71.3987716 71.6914320 72.0341773
72.1205353 72.3856267 72.7609221 72.9131638 73.1291950
73.4208274 73.6083441 73.8101006 74.0649535 74.2837716
74.6714009 74.8355312 75.1175865 75.5964700 75.7946843
75.9510729 76.1317672 76.2373051 76.3652641 76.6183744
76.8051164 77.0463297 77.6306195 77.8479236 78.1538408
78.2287163 78.4407102 78.6417553 78.8199336 79.2222959
79.3423139 79.5550757 79.5836568 79.8925131 80.0973849
80.2621679 80.4379666 80.7907172 81.2336262 81.4672871
81.7714860 82.0100986 82.4623382 82.7981212 82.8416694
83.2342444 83.3791957 83.4935844 83.9260098 84.0884676
84.4403069 84.5508898 84.7278250 85.0518655 85.1734431
85.4160036 86.1259941 86.1952679 86.6706318 87.0723861
87.1511596 87.2765346 87.8109633 88.0360882 88.1926329
88.7054523 88.7536644 89.1182536 89.5759300 90.0537111
90.1654089 90.5425623 90.7529680 90.9911771 91.3861710
91.7313284 92.0287777 92.2127603 92.9260149 93.0197624
93.1173154 93.4475332 94.0693559 94.5674415 94.8467590
94.9663997 95.2758988 95.2867737 96.1702326 96.2185759
96.7373226 97.0186926 97.4708162 97.8091315 98.1096850
98.4978618 98.8056531 99.1797183 99.3043045 99.4114083
99.6990440 100.2277493 100.6883740 101.4962466 101.6551512
102.4395732 102.7347587 103.0886250 103.5696965 103.8290711
104.1104400 104.4030453 105.3590999 105.5019674 106.0034561
106.3241149 106.6058974 106.9059412 107.4845182 108.1049472
108.2599108 108.8995676 108.9852603 109.6050324 110.0800873
110.3259397 111.0055164 111.4787856 111.7232169 113.0216856
113.0884510 113.5202398 114.4201968 115.2942183 115.5798128
116.5336201 116.8333125 117.1256114 117.5123904 117.6442145
118.4563836 119.3117074 120.1209697 121.2590741 121.5262311
121.8990347 122.8062062 123.1206498 125.1374113 125.7954605
126.4197837 126.7911636 127.2571295 128.0719247 128.7958193
130.4915248 130.8458237 132.1459360 134.1803457 134.5676359
134.8941675 135.8819168 136.4686153 136.9264140 137.7880077
139.9940264 140.8231558 142.4691557 143.9677384 145.4527227
147.4604179 149.9471326 152.6487443 152.8361848 161.5401560
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034244 0.0034290 0.0034312 0.0034342 0.0034400
0.0034501 68.2475319 95.6647310 101.5797865 102.7412592
112.8093289 130.4746964 137.2221026 150.9305087 153.1812800
157.3917086 165.8481967 168.7222684 169.3216870 185.2513656
189.6949985 196.4421834 208.5157869 209.8489183 211.7105860
215.2778094 227.2522484 235.0535435 239.3221894 242.9871741
253.9234062 256.3884530 261.0661656 270.9483085 276.8535368
280.3994372 282.5003635 291.3914001 293.5249977 295.8837873
304.7003008 305.7629385 307.7829454 311.9306900 316.4797479
322.7832021 324.8490351 327.6822303 331.0420482 331.8226224
336.9834185 343.0038423 346.7700364 351.1952089 353.5129359
357.5679552 362.8742330 364.4118216 364.9410208 369.0399225
376.8613176 380.1816255 385.2119726 388.9333290 393.4262731
395.6979035 397.8620891 401.6096857 406.4689842 407.5057296
411.1926059 415.6538401 417.9320336 418.2468377 421.6244280
422.3564538 423.6966545 426.8994413 431.3947820 433.2396104
439.7045946 443.2996037 446.8318882 448.4181793 451.0205324
451.3223394 455.3716840 459.3505634 462.7571027 463.7228720
467.1186424 469.5188701 474.9985754 478.1249696 478.6812772
483.3908437 485.9876475 489.6047997 490.9165691 492.5940986
493.8459409 497.1309187 501.7423873 503.9485385 507.0146977
507.4911556 513.0945855 513.7716605 516.4336031 519.8614283
520.5703437 523.1401067 524.7407157 528.3683282 531.5586929
532.8200293 535.0253325 538.5143766 538.9663275 540.9679907
541.3679899 543.9744946 549.3581705 550.5926441 553.0196371
554.8826031 555.2829178 556.7467326 559.2517939 561.3796199
563.5464794 564.4623221 569.0262227 570.6482188 571.7764468
574.6619355 574.8136369 576.7789503 579.4302442 580.1006801
580.2601229 583.2116542 585.8052102 586.9234992 588.9354291
589.4865598 590.5784605 593.1800856 593.7254978 594.3257630
596.6527895 600.1865224 600.5515798 602.1264047 604.2159838
606.9351092 609.0033957 610.1156305 611.8033537 613.7616194
614.5694037 616.4068841 617.4818217 620.0251232 622.2862035
623.1389323 624.7488353 626.6156326 627.0132298 629.2675127
632.0448682 633.0484277 634.9511076 636.8293255 639.8918313
640.7983514 642.4889148 644.2007660 645.2128206 646.3802103
648.0499310 649.1685325 650.5082455 651.5582748 652.9666744
653.8133737 654.7661193 657.1391650 658.4853484 659.7316859
662.6434404 664.3524565 665.7651422 668.8463592 669.6053598
671.0303586 671.7191422 672.7932975 676.4188745 677.0910969
678.2050805 680.6832687 681.4340872 682.9297354 685.0175546
686.8755935 689.7744304 692.3232374 692.5380861 693.9053196
694.9307580 696.0807221 697.1208559 699.0549761 699.7345901
702.4306029 704.1716004 705.7776459 706.4058676 707.2357239
708.6251839 709.2416867 710.1010299 711.3442812 712.6082598
714.4505008 715.4559289 715.4867400 717.2817535 719.1889293
719.9585766 720.6976755 723.5204071 723.8620309 724.5630517
726.1897156 726.8510306 728.1889323 729.3827472 731.1398662
731.8588443 732.2591650 733.9937929 735.6653610 737.4348858
739.1611250 740.2019910 741.6023644 742.8996593 743.5847085
746.6742581 746.9377772 747.6533641 748.6471062 751.2084106
751.7395590 753.5476176 754.2809847 755.1438843 758.6324772
759.8024835 761.6947159 763.8577352 764.4657914 764.6190895
765.8089591 767.4888139 767.9504490 769.6887352 770.9844451
772.2568465 773.1747448 775.0221563 775.3766025 777.2134645
778.7396685 780.1683783 782.1401638 782.4556237 784.7512022
788.1359277 788.4799400 789.5818627 791.0308474 791.8791565
793.1453187 793.9523906 795.3815209 796.6522708 797.4305585
800.0187451 800.6707729 801.6868803 802.3699930 803.8329654
805.7091913 807.2730869 809.8467670 811.3858602 813.2554808
813.7101860 815.7008910 817.4790203 818.5833622 819.2853867
820.7568714 822.2994883 823.7187561 824.6759894 825.6072860
827.3306148 829.3775018 829.6506244 831.7827591 832.2081567
833.8075594 835.2197975 837.2543565 838.8833606 839.7130939
842.3528803 843.1527161 844.7324092 845.8964584 847.0319449
848.6806277 849.5498246 851.5200155 852.0504825 854.2855435
854.6782035 855.4858348 857.6650746 858.3713719 858.6093256
859.2351840 863.1528128 863.7524746 864.7559075 866.6024568
867.6656366 868.8109778 870.7358255 871.3159601 873.3894294
875.2866037 876.1910915 876.9426767 878.9112548 880.9313820
881.8041244 882.9120338 884.8228495 885.8933474 886.4910164
887.7880614 889.1940431 891.2204147 893.0246483 894.9433028
895.4995500 896.1286462 897.1980470 898.3657687 898.5663290
902.2187904 903.2539744 904.6696757 905.3427564 906.6955915
907.7552420 910.5921240 910.8471032 912.0981527 914.0209060
915.0544756 916.1945263 917.5730518 919.4516743 921.6469297
922.1992211 923.8925174 926.2844588 927.2530102 928.6256530
930.4754465 931.6629055 932.9388505 934.5480970 935.9275973
938.3663593 939.3970738 941.1657038 944.1609590 945.3979458
946.3727724 947.4978554 948.1543640 948.9497361 950.5210671
951.6787148 953.1719594 956.7793784 958.1175535 959.9982540
960.4580084 961.7585125 962.9902269 964.0805308 966.5381318
967.2699842 968.5660162 968.7399849 970.6179566 971.8616582
972.8608422 973.9256905 976.0588687 978.7306755 980.1372783
981.9654902 983.3971547 986.1048682 988.1105162 988.3703335
990.7094397 991.5717179 992.2516581 994.8178473 995.7802291
997.8613049 998.5144899 999.5587131 1001.4682893 1002.1838093
1003.6098252 1007.7722699 1008.1774797 1010.9536891 1013.2940752
1013.7523296 1014.4812561 1017.5825504 1018.8861261 1019.7916092
1022.7522357 1023.0301353 1025.1292229 1027.7581826 1030.4954714
1031.1343594 1033.2886776 1034.4885757 1035.8453524 1038.0912273
1040.0497682 1041.7346437 1042.7754344 1046.8005372 1047.3284310
1047.8774718 1049.7338481 1053.2206497 1056.0053050 1057.5636815
1058.2304819 1059.9534859 1060.0139766 1064.9166407 1065.1842654
1068.0517890 1069.6039283 1072.0932995 1073.9522731 1075.6010587
1077.7267979 1079.4093528 1081.4506737 1082.1297012 1082.7131048
1084.2783275 1087.1494970 1089.6447832 1094.0074296 1094.8634946
1099.0796342 1100.6620256 1102.5559919 1105.1255814 1106.5085259
1108.0067886 1109.5627378 1114.6314843 1115.3869512 1118.0347259
1119.7244676 1121.2072453 1122.7839635 1125.8181275 1129.0627119
1129.8716523 1133.2046763 1133.6504458 1136.8692706 1139.3303405
1140.6019188 1144.1094191 1146.5457656 1147.8020503 1154.4527703
1154.7937057 1156.9961936 1161.5733128 1166.0013275 1167.4445811
1172.2517758 1173.7581624 1175.2255260 1177.1643757 1177.8244556
1181.8830795 1186.1423456 1190.1582048 1195.7830806 1197.0996255
1198.9343790 1203.3873390 1204.9269822 1214.7554705 1217.9452471
1220.9638389 1222.7559194 1225.0007134 1228.9161407 1232.3843182
1240.4704790 1242.1533446 1248.3092423 1257.8815104 1259.6955397
1261.2229544 1265.8321229 1268.5619266 1270.6879089 1274.6794684
1284.8429108 1288.6421027 1296.1513173 1302.9503636 1309.6528967
1318.6605399 1329.7327432 1341.6582279 1342.4816997 1380.1793625
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404131504204000752.eigenfacs
Openam> file on opening on unit 10:
2404131504204000752.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404131504204000752.atom
Openam> file on opening on unit 11:
2404131504204000752.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 185
First residue number = 96
Last residue number = 290
Number of atoms found = 185
Mean number per residue = 1.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9447E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9709E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9838E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0035E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0094E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8750
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 3.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.380
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.575
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.500
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.668
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.424
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 8.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 8.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.337
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.630
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 10.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 11.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 12.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 13.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 13.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 13.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 14.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 18.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 18.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 18.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 19.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 19.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 19.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 20.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 20.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 20.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 20.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 20.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 21.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 21.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 21.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 21.84
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 555 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.395000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.548 for 185 C-alpha atoms.
Bfactors> = 1.713 +/- 2.79
Bfactors> = 27.208 +/- 13.42
Bfactors> Shiftng-fct= 25.495
Bfactors> Scaling-fct= 4.804
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404131504204000752 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2404131504204000752 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2404131504204000752 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2404131504204000752 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2404131504204000752 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2404131504204000752 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2404131504204000752 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2404131504204000752 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2404131504204000752 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2404131504204000752 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=-20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=0
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=20
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=40
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=60
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=80
2404131504204000752.eigenfacs
2404131504204000752.atom
calculating perturbed structure for DQ=100
2404131504204000752.eigenfacs
2404131504204000752.atom
making animated gifs
11 models are in 2404131504204000752.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2404131504204000752.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2404131504204000752.10.pdb
2404131504204000752.11.pdb
2404131504204000752.12.pdb
2404131504204000752.13.pdb
2404131504204000752.14.pdb
2404131504204000752.15.pdb
2404131504204000752.16.pdb
2404131504204000752.7.pdb
2404131504204000752.8.pdb
2404131504204000752.9.pdb
STDERR:
real 0m2.460s
user 0m2.456s
sys 0m0.004s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404131504204000752.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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