*** ***
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 = 2404101818343345658.atom
Pdbmat> Distance cutoff = 7.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404101818343345658.atom to be opened.
Openam> File opened: 2404101818343345658.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
Mean number per residue = 1.0
Pdbmat> Coordinate statistics:
= 2.608198 +/- 9.187907 From: -18.534000 To: 21.554000
= 0.227853 +/- 7.582606 From: -19.065000 To: 16.353000
= 31.344289 +/- 10.750922 From: 11.962000 To: 53.464000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 4.6394 % Filled.
Pdbmat> 8116 non-zero elements.
Pdbmat> 771 atom-atom interactions.
Pdbmat> Number per atom= 7.83 +/- 2.51
Maximum number = 15
Minimum number = 3
Pdbmat> Matrix trace = 15420.0
Pdbmat> Larger element = 58.0530
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 197 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) = 591
Diagstd> Number of non-zero elements 8116
Diagstd> Nb of elements found twice: 0
Diagstd> Nb of elements > 1E+10 : 0
Diagstd> Matrix trace: 15420.0000006
%Diagstd-Wn: Nb on non-zero elements there: 591
Openam> file on opening on unit 11:
pdbmat.eigenfacs
Diagstd> Diagonalization.
Diagstd> 591 eigenvectors are about to be computed.
Diagstd> Sum of eigenvalues = 15420.0000006
Diagstd> Eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0000000 0.0015484 0.0046671 0.0075203
0.0102309 0.0135705 0.0175358 0.0181009 0.0219197
0.0326405 0.0418619 0.0495575 0.0509909 0.0558159
0.0664121 0.0739980 0.0889996 0.0980906 0.1173371
0.1299690 0.1407832 0.1504521 0.1686454 0.1759518
0.1942879 0.2193444 0.2614274 0.2718169 0.2918273
0.3143400 0.3414083 0.3563326 0.3868909 0.3985478
0.4411437 0.4915741 0.5067542 0.5317456 0.5716366
0.6361191 0.6515606 0.6829237 0.7636065 0.7672791
0.7994246 0.8464342 0.9094235 0.9327198 0.9911335
1.0376412 1.0482979 1.0767170 1.1301796 1.1636803
1.2206159 1.2742749 1.2859787 1.3303928 1.3980124
1.4140872 1.4540267 1.4856465 1.5082564 1.5394181
1.6064889 1.6606442 1.6722571 1.7046875 1.8198657
1.8294143 1.8684969 1.9461875 1.9789513 2.0339755
2.0448525 2.0880537 2.1648101 2.2148019 2.2678566
2.2986808 2.3635631 2.3914640 2.4515842 2.5770526
2.5974333 2.6517418 2.7641292 2.8616056 2.8950400
2.9967986 3.0739700 3.0942155 3.1654090 3.2328469
3.2759293 3.3905121 3.4474797 3.4716000 3.4904541
3.5557095 3.5837853 3.6854032 3.7452548 3.7921821
3.8132144 3.8869349 3.9498953 3.9870871 4.1068531
4.1444823 4.1636101 4.2256485 4.2499823 4.3485757
4.4581797 4.5242437 4.5931322 4.7150998 4.7559070
4.7750502 4.8523140 4.8779150 4.9680717 5.0451424
5.1427951 5.2973870 5.3347632 5.4441402 5.5546544
5.6541114 5.7843500 5.8696190 5.9011877 6.0461668
6.1786094 6.2088500 6.2612045 6.3561868 6.3679380
6.4623441 6.5385866 6.6759538 6.7133563 6.7850463
6.8896337 6.9125972 7.0096486 7.0663920 7.0973464
7.1825675 7.2572983 7.3624910 7.4273758 7.4888357
7.5544392 7.6000017 7.6185536 7.7575281 7.7947771
7.8473398 7.9585640 8.0204035 8.0691444 8.1857424
8.3213116 8.3841547 8.4543415 8.5134747 8.5969164
8.7665418 8.9489908 8.9815261 9.0766740 9.2746628
9.4243462 9.5327490 9.6190060 9.6449794 9.8416659
9.8525244 9.9909142 10.0081183 10.0750890 10.1283786
10.1748675 10.2055194 10.3101563 10.3842065 10.5184471
10.5776453 10.6051396 10.7610492 10.8978814 10.9837587
11.1371388 11.2325199 11.3013011 11.3874204 11.4444815
11.5281714 11.6183205 11.7980710 11.8534942 11.8801637
12.0261307 12.2207869 12.2939651 12.3667607 12.4632198
12.6065632 12.7760569 12.8734065 12.9532338 13.0524656
13.1348189 13.1822406 13.2116435 13.4150557 13.5317399
13.6502726 13.7051886 13.8064125 13.8700074 13.9636195
14.0111418 14.0804042 14.2536430 14.3220579 14.3840747
14.5196342 14.6236009 14.6725985 14.6903225 14.8246527
14.9380115 15.0309343 15.1008529 15.1776656 15.2738258
15.4474542 15.5949088 15.7452589 15.9799715 16.0121955
16.1544307 16.2881518 16.4245340 16.5389526 16.6801846
16.7736530 16.8488818 16.9858592 17.2313425 17.3034434
17.4613981 17.6546883 17.7361222 17.7759640 17.8729488
18.0300661 18.2249835 18.3342848 18.4257921 18.4818046
18.5774682 18.7268880 18.8162207 18.8951771 19.0087293
19.0402644 19.1674290 19.3381150 19.4637009 19.6690322
19.6791493 20.0496247 20.0684600 20.1581405 20.2189692
20.2822395 20.3499721 20.5268682 20.7471302 20.8170184
20.8763860 20.9433077 21.0346985 21.1533033 21.2954799
21.4001423 21.5725153 21.6187823 21.7542385 21.7986319
21.9556599 22.0317798 22.0767828 22.1875649 22.3910749
22.4268054 22.5382250 22.5952023 22.8279974 22.8360112
22.9692788 23.0909941 23.2168633 23.2663732 23.4487195
23.5258097 23.5942929 23.6993349 23.8612876 24.0775542
24.1124240 24.2596512 24.2886902 24.4500335 24.5113072
24.6109806 24.7357606 24.8011245 24.9819684 25.1299681
25.1457895 25.2398344 25.3108395 25.4301007 25.4369516
25.5292503 25.6340668 25.7020407 25.8889777 26.0326669
26.1182736 26.2940769 26.4147700 26.4808245 26.5387449
26.8633411 26.8686590 26.9484676 27.3653822 27.6912294
27.7367262 27.7586114 27.7853469 27.9859503 28.1018642
28.1816801 28.2068835 28.5040665 28.5939956 28.7721999
28.9424956 29.0631625 29.2251747 29.2922784 29.4842014
29.6794299 29.8281518 29.8919933 30.0749722 30.1992095
30.2814592 30.5406748 30.6231395 30.7160010 30.8022331
30.9141168 31.0603059 31.1965119 31.3067047 31.4852285
31.6310085 31.7658689 31.8729183 32.0184915 32.0464793
32.2344393 32.4058401 32.5553605 32.7226598 32.8584265
32.9216602 33.1138410 33.2650289 33.3973098 33.5930467
33.7507666 33.8974349 33.9576565 34.0837195 34.1589883
34.3012295 34.5541835 34.6229137 34.8717910 34.9809514
35.2572594 35.4410218 35.6218386 35.7757069 36.0425492
36.0591024 36.4325539 36.5883980 36.7433662 36.7501552
37.0388064 37.2114741 37.3523887 37.4440891 37.4778233
37.6045178 37.8245383 37.9695238 38.1018048 38.2877508
38.6055823 38.8058795 38.8375974 39.0438407 39.1455529
39.5120745 39.6422452 39.7887101 39.9124607 40.2460658
40.4304041 40.5271163 40.7648057 40.8788587 41.2541867
41.4047443 41.5855429 41.8089121 41.8873101 42.0706225
42.2335596 42.2744758 42.4116798 42.5079936 42.6805834
43.0158801 43.1146103 43.2212314 43.2353928 43.5026947
43.5343401 43.6610383 43.7752171 43.8889169 44.2577605
44.3206576 44.4864005 44.5878385 44.6689323 44.8426824
44.8959918 45.0400035 45.1041059 45.4268405 45.6215359
45.6755894 45.8671081 46.1702124 46.3934037 46.4927414
46.7179259 46.9262621 47.0895141 47.1798750 47.2441438
47.5998600 47.6856604 47.8728322 48.0775259 48.1506834
48.3636938 48.6453447 48.7339268 49.2084011 49.2915125
49.4519060 49.5542563 49.5760319 50.0944119 50.3293615
50.5535039 50.9298410 51.1551149 51.2024360 51.4114992
51.6797592 51.6881858 52.2415124 52.3632399 52.4390043
52.8228441 52.9078595 53.0395308 53.4421796 53.4890594
53.7647361 54.1306436 54.4408176 54.5858266 54.9599021
55.4116326 55.8342997 55.9665405 56.0453084 56.3064339
56.3621890 56.7262763 57.0433889 57.2495739 57.4615233
57.7040683 57.9011954 57.9567838 58.1532939 58.2741766
58.5506378 58.8183896 59.2245359 59.4755512 59.7043809
60.0456379 60.4197126 60.5704957 61.0059858 61.2540241
61.5457280 62.1941561 62.2176210 62.6136448 63.2339499
63.4200671 63.9907264 64.3534069 64.8328058 64.9793100
65.1355655 65.1934919 65.3249531 65.9953198 66.0935904
66.4114071 66.8891778 67.3995044 67.9407141 68.1883077
68.7718242 69.3347280 69.5051234 69.6104666 69.9713224
70.9349651 71.1518319 72.2292041 73.0015944 73.7761268
73.9400900 74.2941418 74.4223386 74.5527699 76.1188415
76.2315658 77.5543894 78.3096053 78.6325558 78.7308876
79.1689488 80.3305336 81.8744914 83.0215628 85.3090949
85.6173879 86.7512054 87.8455904 88.2496069 89.6820339
93.8414020
Diagstd> Frequencies (cm-1, if the matrix is a hessien in CHARMM units):
0.0034260 0.0034305 0.0034330 0.0034359 0.0034383
0.0034420 0.0034511 4.2729919 7.4185739 9.4169844
10.9837672 12.6500896 14.3799535 14.6098417 16.0772810
19.6188528 22.2179858 24.1740781 24.5211828 25.6551259
27.9845826 29.5396377 32.3958429 34.0101808 37.1974359
39.1485099 40.7446593 42.1205810 44.5946223 45.5503913
47.8650070 50.8579192 55.5227312 56.6152648 58.6621857
60.8828731 63.4500976 64.8220928 67.5444264 68.5544214
72.1249140 76.1359479 77.3025727 79.1857886 82.1022946
86.6092951 87.6541899 89.7390306 94.8921037 95.1200267
97.0921299 99.9060689 103.5567403 104.8747336 108.1088770
110.6162372 111.1828072 112.6797995 115.4433728 117.1418593
119.9733506 122.5820379 123.1436927 125.2521601 128.3957946
129.1318487 130.9427550 132.3588613 133.3622368 134.7328750
137.6366656 139.9373296 140.4257655 141.7808818 146.4923523
146.8761622 148.4367621 151.4912737 152.7611214 154.8702980
155.2838455 156.9155972 159.7736605 161.6079501 163.5321219
164.6397201 166.9471016 167.9295819 170.0273123 174.3238953
175.0118605 176.8320141 180.5404193 183.6961995 184.7662148
187.9853718 190.3904209 191.0163563 193.2013679 195.2485652
196.5452447 199.9530027 201.6258159 202.3299260 202.8786017
204.7662673 205.5730934 208.4672240 210.1531800 211.4656706
212.0512770 214.0912483 215.8182030 216.8318825 220.0644361
221.0703118 221.5798713 223.2245534 223.8663614 226.4481595
229.2841675 230.9767557 232.7285966 235.7983289 236.8164989
237.2926318 239.2047105 239.8349066 242.0411512 243.9113415
246.2605766 249.9344544 250.8146240 253.3727650 255.9315353
258.2126172 261.1695627 263.0875145 263.7940488 267.0148046
269.9234714 270.5832214 271.7216388 273.7748859 274.0278441
276.0516327 277.6752816 280.5769183 281.3617973 282.8600993
285.0318205 285.5064390 287.5036764 288.6650097 289.2965680
291.0282441 292.5383233 294.6508297 295.9463439 297.1682669
298.4670509 299.3657596 299.7309184 302.4523468 303.1776137
304.1981092 306.3462979 307.5341787 308.4672234 310.6878833
313.2500680 314.4306853 315.7440484 316.8463475 318.3952878
321.5210667 324.8495817 325.4395628 327.1588312 330.7077293
333.3656861 335.2774612 336.7909226 337.2453204 340.6666254
340.8545060 343.2400013 343.5353993 344.6828895 345.5932432
346.3854660 346.9068184 348.6806969 349.9306140 352.1851944
353.1748594 353.6335616 356.2235184 358.4811461 359.8908218
362.3949154 363.9434264 365.0560097 366.4442885 367.3612481
368.7019994 370.1407983 372.9930872 373.8681557 374.2885076
376.5808578 379.6163115 380.7511895 381.8767855 383.3631878
385.5614756 388.1447348 389.6207001 390.8268417 392.3210038
393.5567136 394.2665182 394.7059777 397.7329031 399.4588998
401.2046354 402.0108633 403.4927187 404.4209333 405.7834066
406.4733197 407.4767579 409.9757969 410.9585242 411.8473202
413.7834516 415.2622416 415.9573445 416.2084993 418.1071014
419.7026155 421.0059835 421.9840338 423.0559139 424.3939620
426.7993396 428.8315205 430.8937382 434.0934983 434.5309573
436.4566443 438.2593445 440.0903123 441.6205574 443.5021261
444.7429852 445.7391930 447.5474016 450.7698262 451.7119180
453.7689624 456.2735648 457.3246566 457.8380266 459.0852989
461.0987449 463.5844410 464.9724992 466.1314046 466.8393628
468.0460063 469.9244985 471.0440036 472.0312631 473.4474951
473.8400518 475.4197417 477.5318574 479.0799454 481.6003300
481.7241733 486.2374483 486.4657897 487.5515198 488.2865763
489.0499669 489.8658777 491.9903978 494.6229878 495.4553735
496.1613601 496.9559758 498.0390843 499.4412148 501.1168380
502.3467658 504.3658495 504.9064214 506.4857405 507.0022647
508.8251016 509.7063816 510.2266900 511.5052554 513.8457301
514.2555504 515.5314151 516.1826435 518.8349071 518.9259680
520.4379530 521.8150437 523.2353203 523.7929218 525.8414854
526.7051562 527.4712138 528.6440636 530.4472688 532.8456988
533.2314012 534.8568434 535.1768609 536.9514374 537.6238375
538.7158323 540.0797757 540.7928821 542.7609670 544.3663220
544.5376564 545.5549884 546.3218311 547.6074147 547.6811727
548.6739115 549.7991144 550.5275840 552.5260154 554.0572106
554.9674531 556.8320761 558.1085772 558.8059634 559.4167552
562.8274800 562.8831857 563.7185385 568.0623933 571.4344235
571.9036655 572.1292469 572.4047015 574.4672955 575.6557483
576.4726671 576.7303846 579.7605914 580.6744311 582.4810682
584.2023075 585.4188682 587.0483050 587.7218769 589.6441101
591.5930421 593.0734093 593.7077507 595.5221202 596.7508793
597.5629738 600.1151554 600.9248125 601.8352443 602.6794483
603.7730198 605.1989199 606.5244312 607.5946750 609.3245906
610.7335801 612.0341423 613.0645372 614.4629670 614.7314636
616.5315990 618.1685736 619.5930456 621.1830241 622.4703380
623.0690007 624.8849421 626.3098366 627.5538853 629.3902013
630.8659697 632.2352379 632.7965982 633.9700940 634.6697217
635.9897606 638.3305030 638.9650251 641.2574254 642.2603164
644.7918737 646.4700323 648.1170494 649.5153099 651.9330983
652.0827864 655.4507853 656.8511694 658.2407290 658.3015371
660.8817688 662.4204287 663.6734900 664.4876526 664.7869107
665.9096253 667.8548712 669.1336270 670.2982015 671.9318192
674.7149514 676.4629976 676.7393941 678.5338944 679.4171353
682.5904316 683.7138889 684.9757719 686.0401486 688.9012880
690.4771662 691.3025064 693.3267694 694.2959974 697.4760430
698.7476072 700.2715269 702.1496989 702.8077082 704.3438861
705.7065103 706.0482739 707.1931039 707.9956408 709.4314773
712.2126557 713.0295236 713.9106298 714.0275759 716.2314052
716.4918638 717.5337115 718.4713170 719.4037739 722.4203938
722.9335467 724.2840379 725.1093244 725.7684184 727.1785705
727.6106803 728.7767153 729.2951398 731.8996617 733.4664129
733.9007985 735.4378196 737.8638209 739.6451238 740.4365654
742.2275274 743.8806490 745.1734703 745.8880909 746.3959457
749.2006021 749.8755282 751.3457622 752.9503435 753.5229917
755.1878807 757.3836449 758.0729209 761.7542873 762.3973056
763.6367099 764.4265481 764.5944859 768.5814911 770.3817582
772.0953050 774.9638434 776.6758699 777.0350193 778.6197484
780.6484846 780.7121263 784.8797980 785.7936871 786.3619637
789.2346985 789.8695576 790.8518175 793.8480119 794.1961194
796.2400886 798.9449864 801.2307336 802.2971066 805.0414753
808.3431330 811.4202033 812.3805395 812.9520150 814.8436614
815.2469943 817.8759132 820.1587821 821.6396893 823.1592213
824.8946687 826.3024592 826.6990122 828.0993425 828.9595769
830.9236028 832.8213405 835.6917471 837.4608584 839.0703596
841.4649135 844.0819394 845.1345259 848.1672614 849.8897529
851.9110212 856.3870079 856.5485435 859.2702441 863.5160931
864.7859577 868.6679540 871.1261524 874.3648468 875.3522005
876.4040468 876.7936624 877.6772346 882.1691154 882.8256701
884.9456960 888.1231876 891.5046893 895.0768690 896.7063319
900.5349083 904.2128785 905.3232832 906.0090851 908.3543935
914.5879181 915.9849185 922.8937287 927.8151358 932.7241161
933.7600037 935.9929239 936.8001177 937.6206683 947.4174188
948.1186738 956.3095038 960.9544399 962.9338995 963.5357973
966.2126507 973.2750858 982.5837734 989.4428908 1002.9815576
1004.7922281 1011.4234984 1017.7831657 1020.1209578 1028.3666992
1051.9437655
Diagstd> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404101818343345658.eigenfacs
Openam> file on opening on unit 10:
2404101818343345658.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404101818343345658.atom
Openam> file on opening on unit 11:
2404101818343345658.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 = 194
First residue number = 96
Last residue number = 289
Number of atoms found = 197
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: 9.9540E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9801E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9944E-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: 1.0025E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0047E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0100E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.5484E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.6671E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.5203E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0231E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3571E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.7536E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8101E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1920E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.2640E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.1862E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.9557E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.0991E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5816E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6412E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 7.3998E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.9000E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8091E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1173
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1408
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1686
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1943
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2614
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3985
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4411
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6516
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7994
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 1.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 1.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 1.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 1.130
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 1.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 1.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 1.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 1.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 1.330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 1.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 1.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 1.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 1.486
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 1.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 1.539
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 1.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 1.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 1.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 1.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 1.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 1.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 1.868
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 1.946
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 1.979
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 2.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 2.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 2.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 2.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 2.215
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 2.268
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 2.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 2.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 2.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 2.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 2.577
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 2.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 2.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 2.764
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 2.862
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 2.895
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 2.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 3.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 3.094
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 3.165
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 3.233
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 3.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 3.391
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 3.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 3.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 3.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 3.556
%Rdmodfacs-Wn> More than 106 vectors in file.
Bfactors> 106 vectors, 591 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 : 0.001548
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= 0.165 for 197 C-alpha atoms.
Bfactors> = 126.943 +/- 485.47
Bfactors> = 18.896 +/- 6.56
Bfactors> Shiftng-fct= -108.046
Bfactors> Scaling-fct= 0.014
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404101818343345658 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.7.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 2404101818343345658.7.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 2404101818343345658.7.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 2404101818343345658 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.8.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 2404101818343345658.8.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 2404101818343345658.8.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 2404101818343345658 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.9.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 2404101818343345658.9.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 2404101818343345658.9.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 2404101818343345658 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.10.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 2404101818343345658.10.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 2404101818343345658.10.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 2404101818343345658 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.11.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 2404101818343345658.11.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 2404101818343345658.11.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 2404101818343345658 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.12.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 2404101818343345658.12.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 2404101818343345658.12.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 2404101818343345658 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.13.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 2404101818343345658.13.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 2404101818343345658.13.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 2404101818343345658 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.14.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 2404101818343345658.14.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 2404101818343345658.14.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 2404101818343345658 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.15.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 2404101818343345658.15.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 2404101818343345658.15.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 2404101818343345658 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=-20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=0
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=20
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=40
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=60
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=80
2404101818343345658.eigenfacs
2404101818343345658.atom
calculating perturbed structure for DQ=100
2404101818343345658.eigenfacs
2404101818343345658.atom
making animated gifs
11 models are in 2404101818343345658.16.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 2404101818343345658.16.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 2404101818343345658.16.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
2404101818343345658.10.pdb
2404101818343345658.11.pdb
2404101818343345658.12.pdb
2404101818343345658.13.pdb
2404101818343345658.14.pdb
2404101818343345658.15.pdb
2404101818343345658.16.pdb
2404101818343345658.7.pdb
2404101818343345658.8.pdb
2404101818343345658.9.pdb
STDERR:
real 0m2.828s
user 0m2.816s
sys 0m0.012s
../../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: 2404101818343345658.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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