*** ***
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 = 240414155710142639.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 240414155710142639.atom to be opened.
Openam> File opened: 240414155710142639.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 = 199
First residue number = 94
Last residue number = 401
Number of atoms found = 199
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 18.028523 +/- 10.401060 From: -1.800000 To: 45.222000
= 1.507206 +/- 9.498724 From: -20.438000 To: 20.834000
= 8.245372 +/- 8.150742 From: -11.544000 To: 29.163000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'ZN ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.6100 % Filled.
Pdbmat> 10014 non-zero elements.
Pdbmat> 980 atom-atom interactions.
Pdbmat> Number per atom= 9.85 +/- 3.23
Maximum number = 18
Minimum number = 2
Pdbmat> Matrix trace = 19600.0
Pdbmat> Larger element = 74.6995
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 199 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) = 597
Diagstd> Number of non-zero elements 10014
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 19600.0000006
%Diagstd-Wn: Nb on non-zero elements there: 597
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 597 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 19600.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0076219 0.0592841 0.0796041
0.0915568 0.1007263 0.1502194 0.1591138 0.1701637
0.2036056 0.2142225 0.2563650 0.3294860 0.4120076
0.4335141 0.4704056 0.5254939 0.5428786 0.5488385
0.6444962 0.6727303 0.7020651 0.7800682 0.8136557
0.8313482 0.8562137 0.8893925 0.9071713 0.9615369
0.9731386 1.0095511 1.0918165 1.1872594 1.2041539
1.2910564 1.4635906 1.4794340 1.5702832 1.5971275
1.6615590 1.7742455 1.7881938 1.8230788 1.9119499
2.0018264 2.0376596 2.1057144 2.2357690 2.2681415
2.3329132 2.4669398 2.5011497 2.5854576 2.6787773
2.6946346 2.7676899 2.8361088 3.0236154 3.0552702
3.1629793 3.2685684 3.3389530 3.4333120 3.5427228
3.5907539 3.6236108 3.6352184 3.6563026 3.7741186
3.8614896 3.9294726 3.9866917 4.1082848 4.1687102
4.3539093 4.5139268 4.5760605 4.6364190 4.7553512
4.8137049 4.8708421 4.9151142 5.0648876 5.1924840
5.2943838 5.3710702 5.3925005 5.5129329 5.6075175
5.7220270 5.8184307 5.9434172 5.9901151 6.0661998
6.1978077 6.2092276 6.2560991 6.3054954 6.3920490
6.6112361 6.6991687 6.7095013 6.7779642 6.9265982
7.0109654 7.1373173 7.2795324 7.3284958 7.4937982
7.5624568 7.6701110 7.7006491 7.8211376 7.9697505
8.0764152 8.2062624 8.2775110 8.4132609 8.5101118
8.5831161 8.7302586 8.7816373 8.8814062 9.0395999
9.0990326 9.1959541 9.2557680 9.3522814 9.3798867
9.4913597 9.6435841 9.7236136 9.7882109 9.8790251
9.9403031 9.9836474 10.1797114 10.1894173 10.3047057
10.3687867 10.6071005 10.7145904 10.8271784 10.8631674
11.0316884 11.1638574 11.2709228 11.4307574 11.5470324
11.6279501 11.8616075 11.9235629 12.0222735 12.1729510
12.3211561 12.4395102 12.4739839 12.6134416 12.7238621
12.8386761 12.8894863 13.0324234 13.1497588 13.3992351
13.4585475 13.5336180 13.6296112 14.0205780 14.0637635
14.1854824 14.2464303 14.2737257 14.4305774 14.4930406
14.6620260 14.7769614 14.8534705 14.9467205 15.0402266
15.0855146 15.2193342 15.4450949 15.5455732 15.6585863
15.7166637 15.9467352 16.0183826 16.1056220 16.1888994
16.4149243 16.4980479 16.5569569 16.7736126 16.8036441
16.9813627 17.1221122 17.1969307 17.3082255 17.4733275
17.6194377 17.7410828 17.8742845 17.9997161 18.1717459
18.2666348 18.3120557 18.3824393 18.5289769 18.5634238
18.7525255 18.8219417 19.0137249 19.0186141 19.2168819
19.3449478 19.4788944 19.5561914 19.6660167 19.8179227
19.8332512 20.1114682 20.1392074 20.1952363 20.2832913
20.6445044 20.6841854 20.7236317 20.9257804 20.9899802
21.1263425 21.1531499 21.3075397 21.4329134 21.5558735
21.6888992 21.8108301 21.9372946 22.0327471 22.0847732
22.1218311 22.1773500 22.4469051 22.5030545 22.7120227
22.8526330 22.8698276 23.1422954 23.1957762 23.2869463
23.3345323 23.4888353 23.6012197 23.6703814 23.6843420
23.7829364 23.9127781 24.0313756 24.0451091 24.2456638
24.2731124 24.4365911 24.4410268 24.5089937 24.5819818
24.6450228 24.8271219 24.9657602 25.0215169 25.1475670
25.2209493 25.3885289 25.4488112 25.5847238 25.7082198
25.7624388 25.8716482 25.8838638 26.0236994 26.1148461
26.3095290 26.3468670 26.5202096 26.5668552 26.6470805
26.7957895 26.9485001 26.9554559 27.0643454 27.2190325
27.2594234 27.3455397 27.4507966 27.5271409 27.6972591
27.8535377 27.9476432 28.0142833 28.1900223 28.3866853
28.4599449 28.5344367 28.5720525 28.7056164 28.7562805
28.9066326 29.0614082 29.1293782 29.2076007 29.3694985
29.4271875 29.5892742 29.6899059 29.8619891 29.9806939
30.1622621 30.3005957 30.6115859 30.7552490 30.8182263
30.8761723 31.0439915 31.3242882 31.4112245 31.5592373
31.7031191 31.7546257 32.0314590 32.1370547 32.2812353
32.3361760 32.4221713 32.6544237 32.7153513 32.8915345
33.0902762 33.2793306 33.3568519 33.4177431 33.8498846
34.0002089 34.1582802 34.2024636 34.3674377 34.5049339
34.6375093 34.7390699 34.9683204 35.1174867 35.3619284
35.4066573 35.5917155 35.7110518 35.8311039 35.8564376
35.9450712 36.2576977 36.3124502 36.5083961 36.6457442
36.6573118 37.0292615 37.0705907 37.2304858 37.2989216
37.3877913 37.5649478 37.5752272 37.6789022 37.7813213
37.9730926 38.3373341 38.5456328 38.6461664 38.7489215
38.8926609 38.9892804 39.1217397 39.3033071 39.4961634
39.5393015 39.7218700 40.0510848 40.1488367 40.2294769
40.3901680 40.6928224 40.8533877 40.9845279 41.2138983
41.3018547 41.4117533 41.5173222 41.6383862 41.8095808
42.0006132 42.1024145 42.2572413 42.4301919 42.6601906
42.8708801 42.9526780 42.9719008 43.0807366 43.3066928
43.4990991 43.8818936 43.9616643 44.2334869 44.3361178
44.6275949 44.8010352 44.9943639 45.0726290 45.3542582
45.5059626 45.7110178 45.8696713 46.0295047 46.1575174
46.3302359 46.3977758 46.4735859 46.7856500 46.8215990
47.1210604 47.2184117 47.4594758 47.5870024 47.9887286
48.0069350 48.2464973 48.3812635 48.6324008 48.7103057
48.9513063 49.1423381 49.2195653 49.3372463 49.4255650
49.6754821 49.8482066 50.1362971 50.2690448 50.3237371
50.4820329 50.8004720 50.9260841 51.1261998 51.3368161
51.6031391 51.8104317 51.9370341 52.1090495 52.4778598
52.6349851 52.7967982 52.8776346 53.0310166 53.4084423
53.5551544 53.6644009 53.8973656 54.1289741 54.3409886
54.5806865 54.8953073 54.9100571 55.1659661 55.5563103
55.6020263 55.6904804 55.8567781 56.0901605 56.1522440
56.3184994 56.4759371 56.5336308 56.9451962 57.0629780
57.2914829 57.3757011 57.4636302 57.7719012 57.9966558
58.2432684 58.3715964 58.6349681 58.9286758 59.1932047
59.3901950 59.7101377 60.0160566 60.1506623 60.3409045
60.5898344 60.8796403 61.2723424 61.3689668 61.4725191
61.7092727 62.2198263 62.2540570 62.3825282 62.9309196
63.0065768 63.3306958 63.8438124 63.8947971 64.3074730
64.6507135 64.8847382 65.1918463 65.4784408 65.6839009
65.8005683 66.0852487 66.1641487 66.4432649 66.6618273
66.7185903 67.0800964 67.2147695 67.3810782 67.8868444
67.9489430 68.4126376 68.7561190 69.0720528 69.4077342
69.5366581 70.3464075 70.4518165 70.8221542 71.1341122
71.4208545 71.8395366 72.4949694 72.5998231 72.8869488
73.2170377 73.8977010 73.9563102 74.3481388 74.9653070
75.0361201 75.2825069 76.2713711 76.5270301 77.1766905
77.7522242 77.9140683 78.4763676 79.0135260 79.2469140
79.3989543 79.8364760 80.1663006 81.3062071 81.4901483
82.0171940 82.5690830 82.9143472 83.8037167 84.5118857
84.7545784 85.1590698 85.7573071 86.6363632 87.2424553
87.9421552 88.3805973 88.5890937 88.8710205 89.8039812
90.6086536 90.9789330 91.2789263 92.0830653 92.6596574
92.9372887 93.3219193 94.3064542 95.0734533 95.9267682
97.4624601 98.1081524 98.4872516 100.4617919 102.2854272
105.3538034 107.2054236
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034293 0.0034303 0.0034332 0.0034358 0.0034391
0.0034401 0.0034432 9.4804117 26.4401837 30.6381813
32.8579649 34.4640860 42.0879959 43.3160888 44.7949189
48.9993268 50.2606199 54.9825224 62.3323876 69.7024264
71.4984911 74.4786068 78.7189176 80.0104349 80.4484266
87.1777111 89.0667841 90.9879663 95.9094867 97.9525235
99.0117569 100.4815590 102.4099187 103.4284315 106.4825038
107.1229786 109.1087152 113.4671373 118.3227051 119.1615885
123.3865670 131.3726899 132.0818313 136.0768576 137.2350583
139.9758680 144.6445721 145.2120239 146.6216167 150.1528348
153.6414809 155.0104946 157.5777921 162.3711060 163.5423941
165.8611120 170.5589653 171.7374948 174.6079392 177.7311645
178.2564362 180.6566684 182.8760039 188.8245923 189.8104369
193.1272059 196.3243045 198.4268477 201.2110921 204.3919887
205.7728626 206.7121721 207.0429914 207.6425460 210.9614270
213.3893371 215.2595416 216.8211308 220.1027912 221.7155396
226.5869904 230.7132508 232.2956928 233.8226708 236.8026612
238.2511543 239.6609667 240.7476675 244.3881736 247.4473830
249.8635986 251.6666647 252.1682335 254.9685603 257.1464887
259.7587781 261.9378229 264.7362349 265.7742267 267.4567936
270.3425013 270.5914502 271.6108337 272.6810053 274.5461314
279.2136283 281.0643331 281.2810027 282.7124387 285.7954292
287.5306812 290.1100554 292.9861025 293.9697891 297.2667099
298.6253932 300.7433995 301.3415016 303.6898261 306.5615211
308.6061656 311.0770566 312.4245568 314.9759964 316.7837632
318.1396311 320.8550167 321.7977678 323.6205910 326.4900003
327.5615290 329.3014758 330.3706907 332.0886737 332.5784290
334.5488157 337.2209258 338.6172875 339.7402014 341.3126030
342.3695205 343.1151523 346.4679077 346.6330395 348.5885163
349.6707068 353.6662540 355.4537233 357.3163804 357.9097390
360.6751928 362.8293581 364.5650388 367.1409140 369.0034896
370.2941575 373.9960839 374.9715384 376.5204620 378.8726171
381.1720167 382.9983648 383.5287007 385.6666452 387.3510675
389.0947769 389.8639560 392.0196803 393.7804711 397.4983071
398.3771093 399.4866186 400.9008847 406.6101725 407.2359014
408.9943748 409.8720555 410.2645135 412.5125208 413.4043433
415.8074560 417.4340291 418.5132859 419.8249416 421.1360989
421.7696697 423.6362420 426.7667449 428.1526640 429.7061360
430.5022839 433.6418328 434.6149008 435.7967944 436.9220294
439.9615486 441.0741038 441.8608666 444.7424507 445.1404060
447.4881609 449.3388290 450.3194968 451.7743322 453.9239404
455.8178225 457.3886059 459.1024534 460.7104974 462.9068512
464.1138768 464.6905392 465.5827171 467.4347553 467.8690529
470.2460573 471.1156079 473.5097036 473.5705795 476.0326496
477.6162140 479.2668959 480.2168784 481.5634113 483.4197013
483.6066190 486.9867761 487.3225040 487.9999185 489.0626466
493.3981431 493.8720981 494.3427996 496.7479822 497.5094046
499.1228343 499.4394036 501.2587119 502.7312535 504.1712695
505.7245482 507.1441006 508.6122477 509.7175709 510.3190162
510.7469908 511.3874966 514.4859452 515.1290192 517.5152921
519.1147906 519.3100482 522.3943803 522.9976476 524.0244505
524.5595897 526.2910952 527.5486352 528.3210421 528.4768187
529.5756616 531.0192891 532.3344783 532.4865668 534.7026292
535.0052127 536.8038117 536.8525302 537.5984651 538.3983583
539.0882826 541.0762464 542.5848677 543.1904145 544.5569019
545.3508510 547.1596320 547.8088326 549.2697056 550.5937564
551.1740561 552.3410602 552.4714414 553.9617740 554.9310374
556.9956668 557.3907664 559.2213662 559.7129497 560.5574090
562.1193810 563.7188789 563.7916264 564.9292276 566.5413624
566.9615581 567.8564063 568.9482372 569.7388480 571.4966340
573.1066684 574.0739966 574.7580176 576.5579831 578.5656179
579.3117111 580.0693677 580.4515836 581.8067008 582.3199060
583.8402493 585.4011995 586.0853794 586.8717726 588.4960409
589.0737335 590.6938326 591.6974403 593.4097077 594.5879728
596.3857190 597.7517599 600.8114422 602.2196247 602.8358900
603.4023647 605.0399590 607.7652789 608.6080798 610.0403056
611.4293416 611.9258213 614.5873832 615.5995816 616.9789580
617.5037654 618.3243200 620.5350145 621.1136512 622.7838589
624.6625599 626.4444578 627.1736577 627.7458323 631.7916426
633.1929530 634.6631440 635.0734768 636.6032584 637.8754388
639.0996915 640.0359576 642.1443515 643.5125093 645.7482683
646.1565395 647.8429557 648.9281306 650.0179873 650.2477375
651.0509162 653.8759919 654.3695133 656.1326615 657.3657206
657.4694643 660.7966086 661.1652709 662.5896260 663.1983210
663.9879309 665.5591758 665.6502320 666.5679077 667.4732286
669.1650724 672.3667600 674.1908750 675.0695049 675.9663704
677.2189603 678.0596330 679.2104514 680.7847636 682.4529821
682.8255708 684.4001926 687.2304941 688.0686378 688.7592950
690.1335018 692.7143541 694.0796604 695.1927730 697.1353865
697.8788834 698.8067472 699.6968965 700.7163075 702.1553136
703.7575968 704.6099656 705.9043385 707.3474276 709.2619729
711.0112623 711.6892461 711.8484811 712.7493671 714.6160891
716.2018059 719.3462111 719.9997458 722.2222570 723.0596244
725.4325220 726.8408120 728.4073822 729.0406178 731.3147185
732.5367768 734.1853699 735.4583689 736.7386116 737.7623722
739.1414133 739.6799747 740.2840159 742.7653132 743.0506196
745.4230330 746.1926513 748.0949942 749.0994093 752.2546868
752.3973718 754.2723278 755.3250417 757.2828733 757.8891819
759.7617459 761.2427828 761.8406946 762.7509080 763.4333040
765.3609954 766.6904427 768.9027388 769.9199921 770.3387111
771.5493294 773.9789584 774.9352593 776.4563331 778.0540100
780.0695778 781.6347977 782.5892053 783.8841006 786.6532434
787.8300329 789.0400965 789.6439098 790.7883393 793.5973996
794.6866512 795.4967745 797.2215863 798.9326654 800.4957817
802.2593312 804.5682500 804.6763325 806.5492550 809.3977218
809.7306705 810.3744922 811.5835221 813.2772459 813.7272103
814.9309605 816.0692301 816.4859567 819.4525803 820.2995939
821.9403708 822.5442732 823.1743126 825.3793709 826.9833321
828.7397102 829.6521937 831.5217755 833.6017567 835.4706671
836.8597027 839.1108111 841.2576153 842.2004847 843.5312730
845.2694311 847.2885142 850.0168249 850.6867844 851.4041951
853.0421564 856.5637234 856.7993134 857.6829286 861.4445331
861.9622031 864.1764160 867.6702097 868.0165947 870.8152027
873.1360938 874.7149687 876.7825964 878.7077261 880.0852632
880.8665178 882.7699575 883.2967748 885.1579263 886.6125764
886.9899740 889.3897487 890.2820907 891.3828174 894.7219481
895.1310722 898.1801391 900.4320761 902.4984445 904.6888003
905.5286336 910.7857812 911.4678993 913.8603748 915.8708528
917.7149386 920.4009145 924.5900503 925.2584529 927.0863043
929.1832172 933.4923087 933.8624178 936.3330019 940.2112477
940.6552096 942.1983003 948.3661779 949.9542933 953.9779920
957.5284597 958.5245071 961.9770846 965.2637606 966.6882946
967.6151769 970.2774983 972.2796628 979.1678181 980.2747907
983.4396947 986.7429018 988.8037916 994.0927814 998.2841510
999.7165093 1002.0992444 1005.6129276 1010.7538098 1014.2831719
1018.3424144 1020.8777684 1022.0812224 1023.7062715 1029.0656347
1033.6657321 1035.7756568 1037.4819313 1042.0418573 1045.2992174
1046.8640339 1049.0280749 1054.5471160 1058.8267744 1063.5678159
1072.0473434 1075.5926571 1077.6687495 1088.4180628 1098.2524023
1114.6034673 1124.3555266
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240414155710142639.eigenfacs
Openam> file on opening on unit 10:
240414155710142639.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240414155710142639.atom
Openam> file on opening on unit 11:
240414155710142639.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 = 199
First residue number = 94
Last residue number = 401
Number of atoms found = 199
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: 9.9727E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9789E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9956E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0030E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0036E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0054E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.6219E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.9284E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.9604E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1557E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1502
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1702
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2036
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2564
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3295
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4120
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4335
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4704
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5255
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6445
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6727
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8894
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9731
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 1.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 1.092
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 1.187
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 1.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 1.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 1.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 1.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 1.570
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 1.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 1.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 1.774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 1.788
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 1.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 1.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 2.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 2.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 2.106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 2.236
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 2.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 2.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 2.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 2.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 2.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 2.679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 2.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 2.768
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 2.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 3.024
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 3.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 3.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 3.269
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 3.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 3.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 3.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 3.591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 3.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 3.635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 3.656
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 3.774
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 3.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 3.929
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 3.987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4.354
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4.514
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4.915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 5.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 5.192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 5.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 5.371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 5.393
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 5.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 5.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 5.722
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 5.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 5.943
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 5.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 6.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 6.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 6.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 6.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 6.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 6.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 6.611
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 597 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 7 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.007622
Bfactors> 99 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.203 for 198 C-alpha atoms.
Bfactors> = 20.981 +/- 77.53
Bfactors> = 27.085 +/- 13.37
Bfactors> Shiftng-fct= 6.103
Bfactors> Scaling-fct= 0.172
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240414155710142639 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.7.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 240414155710142639.7.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 240414155710142639.7.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 240414155710142639 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.8.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 240414155710142639.8.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 240414155710142639.8.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 240414155710142639 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.9.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 240414155710142639.9.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 240414155710142639.9.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 240414155710142639 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.10.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 240414155710142639.10.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 240414155710142639.10.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 240414155710142639 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.11.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 240414155710142639.11.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 240414155710142639.11.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 240414155710142639 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.12.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 240414155710142639.12.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 240414155710142639.12.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 240414155710142639 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.13.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 240414155710142639.13.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 240414155710142639.13.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 240414155710142639 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.14.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 240414155710142639.14.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 240414155710142639.14.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 240414155710142639 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.15.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 240414155710142639.15.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 240414155710142639.15.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 240414155710142639 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=-20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=0
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=20
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=40
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=60
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=80
240414155710142639.eigenfacs
240414155710142639.atom
calculating perturbed structure for DQ=100
240414155710142639.eigenfacs
240414155710142639.atom
making animated gifs
11 models are in 240414155710142639.16.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 240414155710142639.16.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 240414155710142639.16.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
240414155710142639.10.pdb
240414155710142639.11.pdb
240414155710142639.12.pdb
240414155710142639.13.pdb
240414155710142639.14.pdb
240414155710142639.15.pdb
240414155710142639.16.pdb
240414155710142639.7.pdb
240414155710142639.8.pdb
240414155710142639.9.pdb
STDERR:
real 0m2.991s
user 0m2.975s
sys 0m0.016s
../../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: 240414155710142639.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
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
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
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
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.
|
