*** ***
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 = 240414154245135808.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 240414154245135808.atom to be opened.
Openam> File opened: 240414154245135808.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 9.3511 % Filled.
Pdbmat> 16692 non-zero elements.
Pdbmat> 1722 atom-atom interactions.
Pdbmat> Number per atom= 17.31 +/- 5.37
Maximum number = 30
Minimum number = 5
Pdbmat> Matrix trace = 34440.0
Pdbmat> Larger element = 114.476
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 16692
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 34440.0000006
%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 = 34440.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1148869 0.3718099 0.6512572 0.8018737
0.8383495 0.9783266 1.2856396 1.5834867 1.6732165
1.9558821 2.0554987 2.1183759 2.4737165 2.6212635
2.7412201 2.8430304 3.1064883 3.1421779 3.3657015
3.6713612 3.9222245 4.1067507 4.2870933 4.4422509
4.6697228 4.8521560 5.1756034 5.5830088 5.6867007
5.8706460 6.2624139 6.4941441 6.6691442 6.9155964
7.1539045 7.2132336 7.5182316 7.6733161 7.7583258
8.0960167 8.2761562 8.4508326 8.7084418 8.8346874
8.9765674 9.1120064 9.6226774 9.6841417 9.8712005
9.9895723 10.2863142 10.5277539 10.7823047 10.9549313
11.2289554 11.3583527 11.4590002 11.7568959 11.9392013
12.0046129 12.2381897 12.5353015 12.8352663 13.3549397
13.5394891 13.7729675 13.8885153 13.9846917 14.4482716
14.6173620 14.7751488 14.8946405 15.0851741 15.3139053
15.4560358 15.7377978 15.9512555 16.0443882 16.2649711
16.4342942 16.7894184 16.8886170 16.9902368 17.2700816
17.5887373 17.7152911 18.0149577 18.2255089 18.2695969
18.6649058 18.7583738 19.0678388 19.2383094 19.3512890
19.4056331 19.4713015 19.9515126 20.0339322 20.3889719
20.6299462 20.6584252 20.9930870 21.0730251 21.3505017
21.5125731 21.6549044 21.9110486 22.0354456 22.1388737
22.3735356 22.7374037 22.8236080 23.0936291 23.2759623
23.4784483 23.5618313 23.6670663 23.9116681 24.0314209
24.3744538 24.4815976 24.5926930 25.0190669 25.1190923
25.3794156 25.5860000 25.9160520 26.0108908 26.2291810
26.4227367 26.4637271 26.6467375 26.9627758 27.1072348
27.1954483 27.3522919 27.4973008 27.7466158 27.8341319
28.1998310 28.2586757 28.4235856 28.5319846 28.6255900
28.8384663 29.1098463 29.1686473 29.3679431 29.7356720
29.9325697 30.1339679 30.1655060 30.4655807 30.5532194
30.6742431 30.8268415 31.0296292 31.2699124 31.4814630
31.6086052 31.8226569 31.9835309 32.0944601 32.1849859
32.4916666 32.5305964 32.7810630 32.9471858 33.0172837
33.2066511 33.3607073 33.5177150 33.5987932 33.7284605
33.8534092 34.0096750 34.2076777 34.4317968 34.6122536
34.6204892 34.7801130 34.8934945 34.9312740 35.0916174
35.1684356 35.5206229 35.8272482 36.0126295 36.2369108
36.3357742 36.4940364 36.6125692 36.7252659 37.0720586
37.2510794 37.3279913 37.5128899 37.6131580 37.7451011
37.8328096 37.9695077 38.2470117 38.3368759 38.4989860
38.5459326 38.9662178 39.1761513 39.2055596 39.2830300
39.3442094 39.5632977 39.8519593 39.8845561 40.1418164
40.3750825 40.4597001 40.5994478 40.9202184 41.1049383
41.1821599 41.2843397 41.3530497 41.6191416 41.8671512
42.0123995 42.1412179 42.3778759 42.5436868 42.6136378
42.7755161 42.8462623 42.9679815 43.1221931 43.2770048
43.4698185 43.4908502 43.5802733 43.7965380 44.0289777
44.3477262 44.4878580 44.5500700 44.8430278 44.9649731
45.2423575 45.3150902 45.3539547 45.4442542 45.8724801
45.9399173 46.1061768 46.2628866 46.4070756 46.5000786
46.7446428 46.9052834 47.2113745 47.3830321 47.4269854
47.7084942 47.7848820 47.9038477 48.1690762 48.3548376
48.4477726 48.6797772 48.9096165 49.0307803 49.1340286
49.3898422 49.4670273 49.5851049 49.7438249 49.9240441
49.9803536 50.1286211 50.3915430 50.6444831 50.7051212
50.8549201 51.0846030 51.4887156 51.6536093 51.8032757
51.8546086 52.0428993 52.3881940 52.5277028 52.6819330
52.8327449 52.9336843 53.1939689 53.2685450 53.6020158
53.6533166 53.9013967 54.0079951 54.1699423 54.4593975
54.6095779 54.9285550 54.9804702 55.5686815 55.6090767
55.7659578 55.9343309 56.1661653 56.2212388 56.4186652
56.5090408 56.9852515 57.0106458 57.1553814 57.2343271
57.3318801 57.5282001 57.6503132 57.8247752 57.9655685
58.2358980 58.3777141 58.5817660 58.6665992 58.9154519
58.9490571 59.3437502 59.4780711 59.7693674 59.8080811
59.8620161 60.0871510 60.1506592 60.2756799 60.7383357
60.8225332 60.9280081 61.3403774 61.5316138 61.6644312
61.8166549 62.0760925 62.2156896 62.4031294 62.6744165
62.7712062 62.8769353 63.0088976 63.3765749 63.6152279
63.7250516 63.8321664 64.0275572 64.2287670 64.4408905
64.6007911 64.7231334 64.9853296 65.1442026 65.2070555
65.5072028 65.6294686 65.9018389 66.0417649 66.4986255
66.6541312 66.8250833 66.9328608 67.0960919 67.2569617
67.4428952 67.5859278 67.9798904 68.1344004 68.1712401
68.5851123 68.7018330 68.9059194 69.0307937 69.1729467
69.3227683 69.5852476 69.8788083 69.9579292 70.4367149
70.4863100 70.6328061 70.8274086 71.1233085 71.2981185
71.4634161 71.6351633 71.7424204 72.0293565 72.3143153
72.5293772 72.8839947 73.0794352 73.2167738 73.6306539
73.6535143 74.0410972 74.0820494 74.2120647 74.6526560
74.9329607 75.1787674 75.6526850 75.8351456 76.0053385
76.1404398 76.2987073 76.6025275 76.6636955 76.8667767
77.0028167 77.1790257 77.4428329 77.6412720 77.7401782
78.1265993 78.1684597 78.4359904 78.6261145 78.8994060
79.0425255 79.2074466 79.4886344 79.8024565 79.8835543
80.1901387 80.5026477 80.5955117 80.8530811 81.1997073
81.2956388 81.3791955 81.6154195 81.7189429 82.0695092
82.3569108 82.5114254 82.8747099 82.9172900 83.3704213
83.5099745 83.6094914 83.9563884 84.0887168 84.5162854
84.6362015 84.8875028 84.9912568 85.3665293 85.7137460
85.8213428 86.0891331 86.3572034 86.5990587 86.8594221
87.1073452 87.5671785 87.6477111 87.9858834 88.1606961
88.2816154 88.5959318 88.8288875 89.0564338 89.2341250
89.3791222 89.9002547 90.0576965 90.1988305 90.3731592
90.7501529 91.1010445 91.3819474 91.4522523 91.8974213
92.2354185 92.4045819 92.4988317 92.8238200 93.2719884
93.5548406 93.8450699 94.1538332 94.5260746 94.8989043
95.3549102 95.4963904 95.7750354 96.2793097 96.7362783
96.9527562 97.2285130 97.3825825 97.7153351 98.0729786
98.5416288 98.7681582 99.0073505 99.4380920 99.6862278
100.1691679 100.4481199 100.8754138 101.2662442 101.3290177
101.5346287 101.6432029 102.5632022 102.8480106 103.4916241
103.8117397 104.1496380 104.2915992 104.5797173 104.9894518
105.3702696 106.1646774 106.7410645 107.0103021 107.3019483
107.4330603 107.8154654 108.2781129 108.6528855 108.9093014
109.4057385 109.6077268 110.0247663 110.6437717 110.8677358
110.9717155 111.4134629 111.7370220 112.3889587 112.6084523
113.1326095 113.5974344 114.6019693 114.8738445 115.3984654
115.6711684 115.9524629 116.9891792 117.3088308 117.5449727
118.3848666 118.4633976 119.0350688 119.5790486 120.0902099
120.3912312 121.4343873 121.9332007 122.7570714 123.5378711
124.4108871 125.6572218 125.7386971 126.0383439 127.0885971
127.8170363 128.5586032 129.2062517 130.0408429 130.7598577
132.0941289 132.3491900 133.8789909 134.5378051 135.1578527
135.8643884 135.9756893 137.5161359 138.1282198 139.1203739
140.6615947 141.1075523 142.6699036 144.1353082 144.5261640
147.5276169 150.3322390 153.3060742 153.9370894 158.8286402
161.6747788 165.2866267
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034140 0.0034241 0.0034282 0.0034314 0.0034384
0.0034450 36.8070112 66.2149039 87.6337798 97.2407397
99.4277984 107.4081426 123.1274563 136.6477524 140.4660419
151.8681216 155.6875494 158.0508364 170.7930679 175.8128534
179.7907033 183.0990240 191.3948026 192.4911034 199.2200668
208.0696987 215.0609218 220.0616941 224.8416408 228.8741915
234.6609546 239.2008172 247.0448326 256.5839197 258.9556953
263.1105276 271.7478805 276.7299985 280.4337843 285.5683682
290.4469696 291.6488577 297.7509316 300.8062278 302.4678970
308.9804331 312.3989888 315.6785181 320.4538606 322.7683001
325.3497132 327.7949733 336.8551901 337.9292991 341.1774086
343.2169507 348.2773032 352.3409672 356.5751559 359.4182370
363.8856753 365.9762939 367.5941940 372.3416485 375.2173553
376.2438073 379.8865098 384.4701897 389.0431049 396.8407352
399.5732612 403.0037078 404.6906690 406.0894699 412.7653457
415.1736496 417.4084268 419.0928896 421.7649091 424.9504154
426.9178743 430.7916347 433.7032896 434.9675527 437.9473758
440.2210536 444.9519411 446.2644830 447.6050688 451.2762472
455.4205379 457.0560135 460.9055133 463.5911233 464.1515044
469.1461765 470.3193783 474.1830397 476.2979728 477.6944878
478.3647705 479.1734771 485.0462971 486.0471270 490.3350567
493.2241437 493.5644671 497.5462220 498.4926072 501.7637965
503.6646374 505.3280608 508.3079018 509.7487845 510.9436922
513.6444379 517.8043763 518.7850231 521.8448159 523.9008494
526.1747166 527.1082354 528.2840446 531.0069646 532.3349804
536.1208856 537.2979185 538.5156439 543.1638206 544.2485126
547.0614212 549.2834044 552.8148516 553.8254299 556.1444985
558.1927335 558.6255370 560.5538017 563.8681714 565.3766772
566.2958659 567.9265098 569.4299588 572.0056127 572.9069893
576.6582810 577.2596253 578.9415393 580.0444431 580.9951456
583.1514500 585.8888547 586.4802949 588.4804577 592.1533070
594.1105730 596.1059280 596.4177876 599.3769132 600.2383919
601.4260118 602.9201448 604.8999845 607.2375406 609.2881523
610.5172599 612.5809659 614.1274133 615.1914870 616.0584825
618.9866382 619.3573456 621.7371194 623.3104995 623.9732201
625.7600306 627.2099007 628.6841080 629.4440312 630.6574629
631.8245343 633.2810919 635.1218820 637.1990557 638.8666516
638.9426525 640.4139367 641.4569469 641.8041085 643.2754441
643.9791479 647.1956162 649.9830125 651.6624494 653.6885290
654.5796344 656.0036119 657.0680998 658.0785798 661.1783611
662.7728527 663.4567097 665.0978460 665.9861218 667.1532051
667.9278889 669.1334846 671.5742483 672.3627423 673.7828087
674.1934972 677.8590630 679.6826192 679.9376799 680.6091287
681.1389130 683.0327412 685.5199831 685.8002854 688.0084790
690.0046092 690.7272817 691.9191389 694.6471400 696.2132439
696.8669065 697.7308916 698.3112709 700.5543591 702.6385697
703.8563347 704.9345907 706.9112169 708.2928234 708.8748774
710.2200190 710.8070902 711.8160175 713.0922233 714.3711021
715.9607158 716.1338944 716.8697503 718.6462626 720.5507607
723.1542769 724.2959021 724.8021543 727.1813706 728.1694413
730.4119905 730.9988682 731.3122720 732.0399299 735.4808860
736.0213033 737.3519544 738.6039805 739.7541004 740.4949888
742.4397282 743.7143522 746.1370442 747.4922677 747.8388801
750.0550425 750.6552719 751.5891104 753.6668945 755.1187339
755.8440311 757.6516462 759.4381486 760.3782450 761.1784203
763.1573648 763.7534527 764.6644472 765.8873002 767.2734303
767.7060131 768.8438765 770.8575112 772.7897476 773.2522507
774.3936240 776.1404027 779.2042445 780.4509562 781.5808172
781.9679634 783.3863890 785.9809028 787.0267328 788.1813078
789.3086597 790.0623057 792.0023641 792.5573491 795.0342558
795.4146158 797.2513986 798.0393535 799.2349497 801.3674468
802.4716343 804.8118594 805.1920997 809.4878347 809.7820064
810.9234572 812.1467373 813.8280740 814.2269741 815.6553396
816.3083671 819.7407312 819.9233617 820.9634905 821.5302716
822.2301022 823.6366685 824.5103576 825.7569863 826.7616626
828.6872723 829.6956685 831.1444521 831.7460311 833.5082193
833.7459008 836.5324147 837.4785993 839.5268878 839.7987321
840.1773127 841.7557398 842.2004631 843.0752486 846.3046444
846.8910287 847.6250256 850.4886106 851.8133316 852.7321658
853.7840362 855.5737790 856.5352487 857.8245378 859.6871396
860.3507017 861.0749654 861.9780783 864.4893800 866.1155260
866.8628233 867.5910685 868.9179055 870.2821433 871.7180663
872.7989164 873.6249876 875.3927458 876.4621512 876.8848670
878.9006950 879.7205241 881.5441076 882.4794801 885.5266069
886.5613950 887.6975773 888.4131417 889.4957811 890.5614716
891.7916114 892.7367648 895.3348933 896.3518090 896.5941015
899.3116251 900.0765407 901.4124378 902.2288572 903.1573456
904.1348904 905.8449527 907.7536951 908.2674558 911.3702055
911.6910012 912.6379217 913.8942740 915.8012999 916.9260580
917.9883435 919.0907765 919.7785823 921.6160891 923.4373140
924.8094405 927.0675170 928.3096636 929.1815427 931.8040825
931.9487219 934.3975763 934.6559484 935.4757579 938.2485720
940.0083828 941.5489011 944.5119421 945.6502521 946.7107945
947.5518213 948.5361130 950.4227645 950.8021506 952.0606492
952.9027629 953.9924244 955.6214645 956.8450207 957.4542829
959.8309297 960.0880351 961.7295769 962.8944588 964.5664393
965.4408799 966.4475441 968.1614772 970.0707511 970.5635344
972.4242100 974.3171845 974.8789854 976.4355157 978.5263209
979.1041794 979.6072181 981.0279681 981.6499534 983.7532915
985.4743029 986.3983228 988.5674141 988.8213390 991.5195424
992.3490446 992.9401482 994.9978774 995.7817050 998.3101362
999.0181125 1000.5001527 1001.1113981 1003.3191296 1005.3574908
1005.9883073 1007.5565891 1009.1240694 1010.5361772 1012.0541451
1013.4974704 1016.1690392 1016.6362000 1018.5955620 1019.6069464
1020.3059420 1022.1206685 1023.4635773 1024.7736040 1025.7954422
1026.6285153 1029.6170873 1030.5182737 1031.3254467 1032.3215950
1034.4725309 1036.4705305 1038.0672379 1038.4664810 1040.9909231
1042.9035399 1043.8594652 1044.3916815 1046.2247722 1048.7474021
1050.3363890 1051.9643233 1053.6934570 1055.7743143 1057.8543577
1060.3928996 1061.1792722 1062.7263305 1065.5203885 1068.0460242
1069.2404012 1070.7599089 1071.6079432 1073.4372038 1075.3998290
1077.9662121 1079.2045258 1080.5105202 1082.8584043 1084.2086338
1086.8317404 1088.3439978 1090.6563818 1092.7671515 1093.1057944
1094.2142663 1094.7991488 1099.7426449 1101.2685275 1104.7089727
1106.4161715 1108.2153536 1108.9703730 1110.5011483 1112.6744467
1114.6905666 1118.8846159 1121.9178168 1123.3318566 1124.8615815
1125.5486043 1127.5500053 1129.9666333 1131.9204661 1133.2553197
1135.8352205 1136.8832439 1139.0440184 1142.2436864 1143.3991614
1143.9352169 1146.2097987 1147.8729626 1151.2167611 1152.3403653
1155.0191441 1157.3895098 1162.4956074 1163.8737096 1166.5283478
1167.9058709 1169.3250923 1174.5408537 1176.1443682 1177.3275585
1181.5262500 1181.9180697 1184.7664402 1187.4704939 1190.0058112
1191.4963276 1196.6471841 1199.1023861 1203.1465771 1206.9668350
1211.2240169 1217.2758531 1217.6704256 1219.1204724 1224.1892829
1227.6926392 1231.2488923 1234.3463699 1238.3265036 1241.7452288
1248.0645219 1249.2688873 1256.4681825 1259.5559083 1262.4550441
1265.7504759 1266.2688248 1273.4213018 1276.2521527 1280.8275144
1287.9026853 1289.9426717 1297.0641748 1303.7084210 1305.4748758
1318.9609685 1331.4392122 1344.5438222 1347.3080840 1368.5469122
1380.7543432 1396.0923215
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240414154245135808.eigenfacs
Openam> file on opening on unit 10:
240414154245135808.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240414154245135808.atom
Openam> file on opening on unit 11:
240414154245135808.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: 9.8840E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9429E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9666E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9850E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0026E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0064E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1149
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8019
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8383
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.956
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.741
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.106
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.671
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.922
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.287
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.852
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.583
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.687
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.262
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 6.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.669
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.154
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.213
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.518
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.451
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.708
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 8.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 9.112
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 9.623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 9.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 9.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 12.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 13.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 13.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 14.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 15.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 15.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 15.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 16.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 16.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 16.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 16.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 17.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 17.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 18.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 18.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 18.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 18.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 18.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 19.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 19.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 20.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 20.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
%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> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.114900
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= 0.242 for 198 C-alpha atoms.
Bfactors> = 2.392 +/- 9.93
Bfactors> = 27.085 +/- 13.37
Bfactors> Shiftng-fct= 24.693
Bfactors> Scaling-fct= 1.347
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240414154245135808 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.7.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 240414154245135808.7.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 240414154245135808.7.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 240414154245135808 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.8.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 240414154245135808.8.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 240414154245135808.8.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 240414154245135808 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.9.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 240414154245135808.9.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 240414154245135808.9.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 240414154245135808 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.10.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 240414154245135808.10.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 240414154245135808.10.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 240414154245135808 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.11.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 240414154245135808.11.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 240414154245135808.11.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 240414154245135808 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.12.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 240414154245135808.12.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 240414154245135808.12.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 240414154245135808 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.13.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 240414154245135808.13.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 240414154245135808.13.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 240414154245135808 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.14.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 240414154245135808.14.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 240414154245135808.14.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 240414154245135808 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.15.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 240414154245135808.15.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 240414154245135808.15.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 240414154245135808 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=-20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=0
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=20
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=40
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=60
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=80
240414154245135808.eigenfacs
240414154245135808.atom
calculating perturbed structure for DQ=100
240414154245135808.eigenfacs
240414154245135808.atom
making animated gifs
11 models are in 240414154245135808.16.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 240414154245135808.16.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 240414154245135808.16.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
240414154245135808.10.pdb
240414154245135808.11.pdb
240414154245135808.12.pdb
240414154245135808.13.pdb
240414154245135808.14.pdb
240414154245135808.15.pdb
240414154245135808.16.pdb
240414154245135808.7.pdb
240414154245135808.8.pdb
240414154245135808.9.pdb
STDERR:
real 0m3.054s
user 0m3.046s
sys 0m0.008s
../../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: 240414154245135808.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.
|
