*** TLR4 ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
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 = 2404080857242955947.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2404080857242955947.atom to be opened.
Openam> File opened: 2404080857242955947.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 = 601
First residue number = 27
Last residue number = 627
Number of atoms found = 4803
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 4.517052 +/- 10.287410 From: -22.273000 To: 31.671000
= 0.918428 +/- 19.984916 From: -36.056000 To: 51.594000
= 20.140801 +/- 22.642922 From: -21.044000 To: 64.781000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.7619 % Filled.
Pdbmat> 1829146 non-zero elements.
Pdbmat> 200072 atom-atom interactions.
Pdbmat> Number per atom= 83.31 +/- 20.79
Maximum number = 131
Minimum number = 17
Pdbmat> Matrix trace = 4.001440E+06
Pdbmat> Larger element = 474.287
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
601 non-zero elements, NRBL set to 4
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404080857242955947.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404080857242955947.atom to be opened.
Openam> file on opening on unit 11:
2404080857242955947.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4803 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 601 residues.
Blocpdb> 29 atoms in block 1
Block first atom: 1
Blocpdb> 30 atoms in block 2
Block first atom: 30
Blocpdb> 35 atoms in block 3
Block first atom: 60
Blocpdb> 32 atoms in block 4
Block first atom: 95
Blocpdb> 39 atoms in block 5
Block first atom: 127
Blocpdb> 32 atoms in block 6
Block first atom: 166
Blocpdb> 34 atoms in block 7
Block first atom: 198
Blocpdb> 30 atoms in block 8
Block first atom: 232
Blocpdb> 30 atoms in block 9
Block first atom: 262
Blocpdb> 34 atoms in block 10
Block first atom: 292
Blocpdb> 33 atoms in block 11
Block first atom: 326
Blocpdb> 35 atoms in block 12
Block first atom: 359
Blocpdb> 35 atoms in block 13
Block first atom: 394
Blocpdb> 33 atoms in block 14
Block first atom: 429
Blocpdb> 30 atoms in block 15
Block first atom: 462
Blocpdb> 34 atoms in block 16
Block first atom: 492
Blocpdb> 33 atoms in block 17
Block first atom: 526
Blocpdb> 29 atoms in block 18
Block first atom: 559
Blocpdb> 29 atoms in block 19
Block first atom: 588
Blocpdb> 31 atoms in block 20
Block first atom: 617
Blocpdb> 31 atoms in block 21
Block first atom: 648
Blocpdb> 27 atoms in block 22
Block first atom: 679
Blocpdb> 28 atoms in block 23
Block first atom: 706
Blocpdb> 28 atoms in block 24
Block first atom: 734
Blocpdb> 24 atoms in block 25
Block first atom: 762
Blocpdb> 32 atoms in block 26
Block first atom: 786
Blocpdb> 27 atoms in block 27
Block first atom: 818
Blocpdb> 32 atoms in block 28
Block first atom: 845
Blocpdb> 28 atoms in block 29
Block first atom: 877
Blocpdb> 34 atoms in block 30
Block first atom: 905
Blocpdb> 31 atoms in block 31
Block first atom: 939
Blocpdb> 33 atoms in block 32
Block first atom: 970
Blocpdb> 28 atoms in block 33
Block first atom: 1003
Blocpdb> 34 atoms in block 34
Block first atom: 1031
Blocpdb> 35 atoms in block 35
Block first atom: 1065
Blocpdb> 36 atoms in block 36
Block first atom: 1100
Blocpdb> 33 atoms in block 37
Block first atom: 1136
Blocpdb> 32 atoms in block 38
Block first atom: 1169
Blocpdb> 34 atoms in block 39
Block first atom: 1201
Blocpdb> 29 atoms in block 40
Block first atom: 1235
Blocpdb> 31 atoms in block 41
Block first atom: 1264
Blocpdb> 33 atoms in block 42
Block first atom: 1295
Blocpdb> 34 atoms in block 43
Block first atom: 1328
Blocpdb> 34 atoms in block 44
Block first atom: 1362
Blocpdb> 32 atoms in block 45
Block first atom: 1396
Blocpdb> 30 atoms in block 46
Block first atom: 1428
Blocpdb> 29 atoms in block 47
Block first atom: 1458
Blocpdb> 35 atoms in block 48
Block first atom: 1487
Blocpdb> 25 atoms in block 49
Block first atom: 1522
Blocpdb> 37 atoms in block 50
Block first atom: 1547
Blocpdb> 38 atoms in block 51
Block first atom: 1584
Blocpdb> 34 atoms in block 52
Block first atom: 1622
Blocpdb> 35 atoms in block 53
Block first atom: 1656
Blocpdb> 29 atoms in block 54
Block first atom: 1691
Blocpdb> 30 atoms in block 55
Block first atom: 1720
Blocpdb> 29 atoms in block 56
Block first atom: 1750
Blocpdb> 26 atoms in block 57
Block first atom: 1779
Blocpdb> 36 atoms in block 58
Block first atom: 1805
Blocpdb> 28 atoms in block 59
Block first atom: 1841
Blocpdb> 39 atoms in block 60
Block first atom: 1869
Blocpdb> 29 atoms in block 61
Block first atom: 1908
Blocpdb> 37 atoms in block 62
Block first atom: 1937
Blocpdb> 28 atoms in block 63
Block first atom: 1974
Blocpdb> 26 atoms in block 64
Block first atom: 2002
Blocpdb> 32 atoms in block 65
Block first atom: 2028
Blocpdb> 39 atoms in block 66
Block first atom: 2060
Blocpdb> 33 atoms in block 67
Block first atom: 2099
Blocpdb> 40 atoms in block 68
Block first atom: 2132
Blocpdb> 32 atoms in block 69
Block first atom: 2172
Blocpdb> 33 atoms in block 70
Block first atom: 2204
Blocpdb> 30 atoms in block 71
Block first atom: 2237
Blocpdb> 29 atoms in block 72
Block first atom: 2267
Blocpdb> 28 atoms in block 73
Block first atom: 2296
Blocpdb> 35 atoms in block 74
Block first atom: 2324
Blocpdb> 35 atoms in block 75
Block first atom: 2359
Blocpdb> 37 atoms in block 76
Block first atom: 2394
Blocpdb> 37 atoms in block 77
Block first atom: 2431
Blocpdb> 32 atoms in block 78
Block first atom: 2468
Blocpdb> 34 atoms in block 79
Block first atom: 2500
Blocpdb> 31 atoms in block 80
Block first atom: 2534
Blocpdb> 32 atoms in block 81
Block first atom: 2565
Blocpdb> 32 atoms in block 82
Block first atom: 2597
Blocpdb> 37 atoms in block 83
Block first atom: 2629
Blocpdb> 30 atoms in block 84
Block first atom: 2666
Blocpdb> 21 atoms in block 85
Block first atom: 2696
Blocpdb> 33 atoms in block 86
Block first atom: 2717
Blocpdb> 29 atoms in block 87
Block first atom: 2750
Blocpdb> 36 atoms in block 88
Block first atom: 2779
Blocpdb> 33 atoms in block 89
Block first atom: 2815
Blocpdb> 26 atoms in block 90
Block first atom: 2848
Blocpdb> 30 atoms in block 91
Block first atom: 2874
Blocpdb> 27 atoms in block 92
Block first atom: 2904
Blocpdb> 30 atoms in block 93
Block first atom: 2931
Blocpdb> 30 atoms in block 94
Block first atom: 2961
Blocpdb> 36 atoms in block 95
Block first atom: 2991
Blocpdb> 29 atoms in block 96
Block first atom: 3027
Blocpdb> 30 atoms in block 97
Block first atom: 3056
Blocpdb> 31 atoms in block 98
Block first atom: 3086
Blocpdb> 29 atoms in block 99
Block first atom: 3117
Blocpdb> 36 atoms in block 100
Block first atom: 3146
Blocpdb> 36 atoms in block 101
Block first atom: 3182
Blocpdb> 32 atoms in block 102
Block first atom: 3218
Blocpdb> 32 atoms in block 103
Block first atom: 3250
Blocpdb> 33 atoms in block 104
Block first atom: 3282
Blocpdb> 33 atoms in block 105
Block first atom: 3315
Blocpdb> 35 atoms in block 106
Block first atom: 3348
Blocpdb> 36 atoms in block 107
Block first atom: 3383
Blocpdb> 33 atoms in block 108
Block first atom: 3419
Blocpdb> 30 atoms in block 109
Block first atom: 3452
Blocpdb> 31 atoms in block 110
Block first atom: 3482
Blocpdb> 31 atoms in block 111
Block first atom: 3513
Blocpdb> 29 atoms in block 112
Block first atom: 3544
Blocpdb> 32 atoms in block 113
Block first atom: 3573
Blocpdb> 23 atoms in block 114
Block first atom: 3605
Blocpdb> 37 atoms in block 115
Block first atom: 3628
Blocpdb> 34 atoms in block 116
Block first atom: 3665
Blocpdb> 35 atoms in block 117
Block first atom: 3699
Blocpdb> 35 atoms in block 118
Block first atom: 3734
Blocpdb> 34 atoms in block 119
Block first atom: 3769
Blocpdb> 29 atoms in block 120
Block first atom: 3803
Blocpdb> 35 atoms in block 121
Block first atom: 3832
Blocpdb> 28 atoms in block 122
Block first atom: 3867
Blocpdb> 30 atoms in block 123
Block first atom: 3895
Blocpdb> 28 atoms in block 124
Block first atom: 3925
Blocpdb> 32 atoms in block 125
Block first atom: 3953
Blocpdb> 32 atoms in block 126
Block first atom: 3985
Blocpdb> 36 atoms in block 127
Block first atom: 4017
Blocpdb> 34 atoms in block 128
Block first atom: 4053
Blocpdb> 34 atoms in block 129
Block first atom: 4087
Blocpdb> 30 atoms in block 130
Block first atom: 4121
Blocpdb> 32 atoms in block 131
Block first atom: 4151
Blocpdb> 34 atoms in block 132
Block first atom: 4183
Blocpdb> 33 atoms in block 133
Block first atom: 4217
Blocpdb> 33 atoms in block 134
Block first atom: 4250
Blocpdb> 36 atoms in block 135
Block first atom: 4283
Blocpdb> 30 atoms in block 136
Block first atom: 4319
Blocpdb> 32 atoms in block 137
Block first atom: 4349
Blocpdb> 32 atoms in block 138
Block first atom: 4381
Blocpdb> 32 atoms in block 139
Block first atom: 4413
Blocpdb> 28 atoms in block 140
Block first atom: 4445
Blocpdb> 36 atoms in block 141
Block first atom: 4473
Blocpdb> 39 atoms in block 142
Block first atom: 4509
Blocpdb> 37 atoms in block 143
Block first atom: 4548
Blocpdb> 32 atoms in block 144
Block first atom: 4585
Blocpdb> 36 atoms in block 145
Block first atom: 4617
Blocpdb> 28 atoms in block 146
Block first atom: 4653
Blocpdb> 28 atoms in block 147
Block first atom: 4681
Blocpdb> 30 atoms in block 148
Block first atom: 4709
Blocpdb> 28 atoms in block 149
Block first atom: 4739
Blocpdb> 31 atoms in block 150
Block first atom: 4767
Blocpdb> 6 atoms in block 151
Block first atom: 4797
Blocpdb> 151 blocks.
Blocpdb> At most, 40 atoms in each of them.
Blocpdb> At least, 6 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1829297 matrix lines read.
Prepmat> Matrix order = 14409
Prepmat> Matrix trace = 4001440.0000
Prepmat> Last element read: 14409 14409 149.6886
Prepmat> 11477 lines saved.
Prepmat> 10186 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 4803
RTB> Total mass = 4803.0000
RTB> Number of atoms found in matrix: 4803
RTB> Number of blocks = 151
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 187333.4250
RTB> 44175 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 906
Diagstd> Nb of non-zero elements: 44175
Diagstd> Projected matrix trace = 187333.4250
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 906 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 187333.4250
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0665544 0.1593499 0.3637422 0.5502504
1.1322263 1.4369710 2.1920775 3.1310098 3.6516900
4.1359132 4.9898877 6.0766033 6.5954763 7.3082901
8.4528085 9.9050939 10.8731689 11.1089043 12.4534488
14.0304279 14.4411201 15.3752393 16.3905957 17.8643139
18.9932470 19.1807283 20.9344459 21.2014268 23.2883775
23.6581716 24.5478417 25.6399491 26.0615317 26.9040590
28.6977880 29.3318915 30.0892948 30.2925327 31.5974077
32.9743399 33.5589187 33.7302566 34.4916521 35.2068595
35.4768235 36.0118532 36.7832682 37.6671510 39.2584699
39.6573562 40.0200479 40.5333588 41.2779713 41.6598734
42.0222146 42.8432033 43.4072909 43.5495996 44.5159516
44.7096026 45.7151121 45.9595250 46.7249493 46.8715383
47.3000420 47.7938031 48.0666646 49.1753245 49.3465649
49.6451621 49.9405198 50.5185961 51.0588168 51.2574580
52.2341250 52.6184839 52.7990668 53.8316655 54.1635268
54.4608475 54.8019663 55.7261135 56.1779518 56.6610430
57.0272241 57.4267758 57.6452640 58.1059306 58.4541161
58.8122218 59.4597109 60.2443593 60.7387747 60.7602815
61.8821759 62.1092240 63.0833963 63.9099713 64.2218849
64.9645681
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034312 0.0034322 0.0034332 0.0034340 0.0034355
0.0034356 28.0145599 43.3482070 65.4925841 80.5518371
115.5478603 130.1725124 160.7767448 192.1487197 207.5115286
220.8416512 242.5719993 267.6860401 278.8806371 293.5642522
315.7154207 341.7626339 358.0744622 361.9352592 383.2128823
406.7529751 412.6631790 425.8005535 439.6353935 458.9743870
473.2546477 475.5846478 496.8508251 500.0090035 524.0405529
528.1847636 538.0243572 549.8621923 554.3642923 563.2538693
581.7273620 588.1191422 595.6639060 597.6722236 610.4091108
623.5673042 629.0704132 630.6742545 637.7526599 644.3308472
646.7964745 651.6554261 658.5980447 666.4639563 680.3963334
683.8441868 686.9641637 691.3557459 697.6770746 700.8970838
703.9385485 710.7817157 715.4456070 716.6174236 724.5245586
726.0987434 734.2182495 736.1783581 742.2833167 743.4467781
746.8373745 750.7253400 752.8652881 761.4982290 762.8229374
765.1273863 767.4000258 771.8286884 775.9444904 777.4524074
784.8243013 787.7065294 789.0570485 796.7355368 799.1876204
801.3781147 803.8839370 810.6337061 813.9134603 817.4055134
820.0425668 822.9102980 824.4742501 827.7620486 830.2384247
832.7776737 837.3493299 842.8561794 846.3077028 846.4575225
854.2363903 855.8020687 862.4875083 868.1196597 870.2355171
875.2528993
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4803
Rtb_to_modes> Number of blocs = 151
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9837E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9895E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9955E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.6554E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1593
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3637
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5503
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.132
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.437
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.192
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.131
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.652
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.136
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.990
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.077
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.595
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.308
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.453
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 9.905
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.87
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.11
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.45
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 14.03
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 14.44
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 15.38
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 16.39
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 17.86
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 18.99
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 19.18
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 20.93
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 21.20
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 23.29
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 23.66
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 24.55
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 25.64
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 26.06
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 26.90
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 28.70
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 29.33
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 30.09
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 30.29
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 31.60
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 32.97
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 33.56
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 33.73
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 34.49
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 35.21
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 35.48
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 36.01
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 36.78
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 37.67
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 39.26
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 39.66
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 40.02
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 40.53
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 41.28
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 41.66
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 42.02
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 42.84
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 43.41
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 43.55
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 44.52
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 44.71
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 45.72
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 45.96
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 46.72
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 46.87
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 47.30
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 47.79
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 48.07
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 49.18
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 49.35
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 49.65
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 49.94
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 50.52
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 51.06
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 51.26
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 52.23
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 52.62
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 52.80
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 53.83
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 54.16
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 54.46
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 54.80
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 55.73
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 56.18
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 56.66
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 57.03
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 57.43
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 57.65
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 58.11
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 58.45
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 58.81
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 59.46
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 60.24
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 60.74
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 60.76
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 61.88
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 62.11
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 63.08
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 63.91
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 64.22
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 64.96
Rtb_to_modes> 106 vectors, with 906 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00001 1.00000 1.00000 1.00000
1.00001 0.99996 1.00004 1.00000 1.00001
0.99998 1.00001 1.00000 1.00002 0.99998
1.00000 0.99999 1.00000 0.99999 0.99998
1.00003 1.00001 1.00001 1.00001 1.00000
1.00000 1.00001 0.99997 1.00000 1.00000
1.00001 0.99998 1.00001 1.00002 1.00000
0.99998 1.00001 0.99999 1.00001 1.00000
0.99997 1.00001 0.99998 1.00001 1.00000
0.99999 1.00001 1.00000 0.99999 0.99999
0.99999 1.00000 1.00001 1.00001 1.00001
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000 1.00001 1.00000 1.00001 1.00001
0.99999 1.00001 1.00000 1.00001 0.99998
1.00001 1.00000 0.99999 0.99999 0.99999
0.99999 1.00001 1.00000 0.99999 1.00000
1.00000 1.00000 1.00000 0.99999 1.00001
0.99999 0.99999 1.00002 1.00001 1.00000
0.99998 1.00001 0.99998 1.00000 0.99997
0.99999 1.00000 1.00000 1.00000 0.99999
0.99999 1.00000 1.00000 1.00000 1.00000
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 86454 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00001 1.00000 1.00000 1.00000
1.00001 0.99996 1.00004 1.00000 1.00001
0.99998 1.00001 1.00000 1.00002 0.99998
1.00000 0.99999 1.00000 0.99999 0.99998
1.00003 1.00001 1.00001 1.00001 1.00000
1.00000 1.00001 0.99997 1.00000 1.00000
1.00001 0.99998 1.00001 1.00002 1.00000
0.99998 1.00001 0.99999 1.00001 1.00000
0.99997 1.00001 0.99998 1.00001 1.00000
0.99999 1.00001 1.00000 0.99999 0.99999
0.99999 1.00000 1.00001 1.00001 1.00001
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000 1.00001 1.00000 1.00001 1.00001
0.99999 1.00001 1.00000 1.00001 0.99998
1.00001 1.00000 0.99999 0.99999 0.99999
0.99999 1.00001 1.00000 0.99999 1.00000
1.00000 1.00000 1.00000 0.99999 1.00001
0.99999 0.99999 1.00002 1.00001 1.00000
0.99998 1.00001 0.99998 1.00000 0.99997
0.99999 1.00000 1.00000 1.00000 0.99999
0.99999 1.00000 1.00000 1.00000 1.00000
1.00002
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5: 0.000 0.000 0.000-0.000
Vector 6: 0.000-0.000-0.000-0.000-0.000
Vector 7: 0.000-0.000 0.000-0.000 0.000-0.000
Vector 8:-0.000 0.000 0.000 0.000 0.000 0.000-0.000
Vector 9: 0.000-0.000 0.000 0.000-0.000 0.000 0.000-0.000
Vector 10:-0.000 0.000 0.000 0.000 0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404080857242955947.eigenfacs
Openam> file on opening on unit 10:
2404080857242955947.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404080857242955947.atom
Openam> file on opening on unit 11:
2404080857242955947.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 = 601
First residue number = 27
Last residue number = 627
Number of atoms found = 4803
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9837E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9895E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6554E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.192
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.131
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.136
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.077
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 14.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 14.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 16.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 17.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 18.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 19.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 20.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 21.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 23.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 23.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 24.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 25.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 26.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 26.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 28.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 29.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 30.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 30.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 31.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 32.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 33.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 33.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 34.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 35.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 35.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 36.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 36.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 37.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 39.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 39.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 40.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 40.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 41.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 41.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 42.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 42.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 43.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 43.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 44.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 44.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 45.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 45.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 46.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 46.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 47.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 47.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 48.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 49.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 49.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 49.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 49.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 50.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 51.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 51.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 52.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 52.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 52.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 53.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 54.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 54.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 54.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 55.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 56.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 56.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 57.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 57.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 57.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 58.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 58.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 58.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 59.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 60.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 60.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 60.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 61.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 62.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 63.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 63.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 64.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 64.96
Bfactors> 106 vectors, 14409 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 : 0.066554
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= 0.739 for 601 C-alpha atoms.
Bfactors> = 0.102 +/- 0.10
Bfactors> = 81.153 +/- 30.20
Bfactors> Shiftng-fct= 81.052
Bfactors> Scaling-fct= 298.524
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404080857242955947 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=0
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=100
2404080857242955947.eigenfacs
2404080857242955947.atom
making animated gifs
11 models are in 2404080857242955947.7.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 2404080857242955947.7.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 2404080857242955947.7.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 2404080857242955947 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=0
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=100
2404080857242955947.eigenfacs
2404080857242955947.atom
making animated gifs
11 models are in 2404080857242955947.8.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 2404080857242955947.8.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 2404080857242955947.8.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 2404080857242955947 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=0
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=100
2404080857242955947.eigenfacs
2404080857242955947.atom
making animated gifs
11 models are in 2404080857242955947.9.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 2404080857242955947.9.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 2404080857242955947.9.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 2404080857242955947 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=0
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=100
2404080857242955947.eigenfacs
2404080857242955947.atom
making animated gifs
11 models are in 2404080857242955947.10.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 2404080857242955947.10.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 2404080857242955947.10.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 2404080857242955947 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=-20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=0
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=20
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=40
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=60
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=80
2404080857242955947.eigenfacs
2404080857242955947.atom
calculating perturbed structure for DQ=100
2404080857242955947.eigenfacs
2404080857242955947.atom
making animated gifs
11 models are in 2404080857242955947.11.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 2404080857242955947.11.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 2404080857242955947.11.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
2404080857242955947.10.pdb
2404080857242955947.11.pdb
2404080857242955947.7.pdb
2404080857242955947.8.pdb
2404080857242955947.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m18.849s
user 0m18.777s
sys 0m0.072s
../../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: 2404080857242955947.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
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.
|
