*** ***
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 = 2401041356523843066.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 2401041356523843066.atom to be opened.
Openam> File opened: 2401041356523843066.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 = 413
First residue number = 1
Last residue number = 413
Number of atoms found = 5946
Mean number per residue = 14.4
Pdbmat> Coordinate statistics:
= 76.232979 +/- 14.821528 From: 34.731000 To: 106.373000
= 76.234020 +/- 17.128175 From: 42.330000 To: 113.145000
= 76.232929 +/- 13.326193 From: 41.743000 To: 108.178000
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 2.1831 % Filled.
Pdbmat> 3473438 non-zero elements.
Pdbmat> 382033 atom-atom interactions.
Pdbmat> Number per atom= 128.50 +/- 45.07
Maximum number = 255
Minimum number = 21
Pdbmat> Matrix trace = 7.640660E+06
Pdbmat> Larger element = 866.903
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
413 non-zero elements, NRBL set to 3
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 = 2401041356523843066.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2401041356523843066.atom to be opened.
Openam> file on opening on unit 11:
2401041356523843066.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5946 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 413 residues.
Blocpdb> 51 atoms in block 1
Block first atom: 1
Blocpdb> 40 atoms in block 2
Block first atom: 52
Blocpdb> 37 atoms in block 3
Block first atom: 92
Blocpdb> 32 atoms in block 4
Block first atom: 129
Blocpdb> 48 atoms in block 5
Block first atom: 161
Blocpdb> 51 atoms in block 6
Block first atom: 209
Blocpdb> 42 atoms in block 7
Block first atom: 260
Blocpdb> 45 atoms in block 8
Block first atom: 302
Blocpdb> 36 atoms in block 9
Block first atom: 347
Blocpdb> 40 atoms in block 10
Block first atom: 383
Blocpdb> 43 atoms in block 11
Block first atom: 423
Blocpdb> 45 atoms in block 12
Block first atom: 466
Blocpdb> 36 atoms in block 13
Block first atom: 511
Blocpdb> 38 atoms in block 14
Block first atom: 547
Blocpdb> 30 atoms in block 15
Block first atom: 585
Blocpdb> 36 atoms in block 16
Block first atom: 615
Blocpdb> 35 atoms in block 17
Block first atom: 651
Blocpdb> 38 atoms in block 18
Block first atom: 686
Blocpdb> 30 atoms in block 19
Block first atom: 724
Blocpdb> 39 atoms in block 20
Block first atom: 754
Blocpdb> 52 atoms in block 21
Block first atom: 793
Blocpdb> 46 atoms in block 22
Block first atom: 845
Blocpdb> 46 atoms in block 23
Block first atom: 891
Blocpdb> 52 atoms in block 24
Block first atom: 937
Blocpdb> 50 atoms in block 25
Block first atom: 989
Blocpdb> 54 atoms in block 26
Block first atom: 1039
Blocpdb> 52 atoms in block 27
Block first atom: 1093
Blocpdb> 42 atoms in block 28
Block first atom: 1145
Blocpdb> 41 atoms in block 29
Block first atom: 1187
Blocpdb> 28 atoms in block 30
Block first atom: 1228
Blocpdb> 46 atoms in block 31
Block first atom: 1256
Blocpdb> 41 atoms in block 32
Block first atom: 1302
Blocpdb> 38 atoms in block 33
Block first atom: 1343
Blocpdb> 43 atoms in block 34
Block first atom: 1381
Blocpdb> 54 atoms in block 35
Block first atom: 1424
Blocpdb> 35 atoms in block 36
Block first atom: 1478
Blocpdb> 41 atoms in block 37
Block first atom: 1513
Blocpdb> 53 atoms in block 38
Block first atom: 1554
Blocpdb> 37 atoms in block 39
Block first atom: 1607
Blocpdb> 41 atoms in block 40
Block first atom: 1644
Blocpdb> 43 atoms in block 41
Block first atom: 1685
Blocpdb> 38 atoms in block 42
Block first atom: 1728
Blocpdb> 40 atoms in block 43
Block first atom: 1766
Blocpdb> 45 atoms in block 44
Block first atom: 1806
Blocpdb> 48 atoms in block 45
Block first atom: 1851
Blocpdb> 55 atoms in block 46
Block first atom: 1899
Blocpdb> 58 atoms in block 47
Block first atom: 1954
Blocpdb> 37 atoms in block 48
Block first atom: 2012
Blocpdb> 52 atoms in block 49
Block first atom: 2049
Blocpdb> 40 atoms in block 50
Block first atom: 2101
Blocpdb> 43 atoms in block 51
Block first atom: 2141
Blocpdb> 41 atoms in block 52
Block first atom: 2184
Blocpdb> 44 atoms in block 53
Block first atom: 2225
Blocpdb> 35 atoms in block 54
Block first atom: 2269
Blocpdb> 35 atoms in block 55
Block first atom: 2304
Blocpdb> 46 atoms in block 56
Block first atom: 2339
Blocpdb> 36 atoms in block 57
Block first atom: 2385
Blocpdb> 51 atoms in block 58
Block first atom: 2421
Blocpdb> 35 atoms in block 59
Block first atom: 2472
Blocpdb> 44 atoms in block 60
Block first atom: 2507
Blocpdb> 35 atoms in block 61
Block first atom: 2551
Blocpdb> 42 atoms in block 62
Block first atom: 2586
Blocpdb> 47 atoms in block 63
Block first atom: 2628
Blocpdb> 50 atoms in block 64
Block first atom: 2675
Blocpdb> 47 atoms in block 65
Block first atom: 2725
Blocpdb> 47 atoms in block 66
Block first atom: 2772
Blocpdb> 36 atoms in block 67
Block first atom: 2819
Blocpdb> 50 atoms in block 68
Block first atom: 2855
Blocpdb> 41 atoms in block 69
Block first atom: 2905
Blocpdb> 31 atoms in block 70
Block first atom: 2946
Blocpdb> 38 atoms in block 71
Block first atom: 2977
Blocpdb> 67 atoms in block 72
Block first atom: 3015
Blocpdb> 60 atoms in block 73
Block first atom: 3082
Blocpdb> 31 atoms in block 74
Block first atom: 3142
Blocpdb> 51 atoms in block 75
Block first atom: 3173
Blocpdb> 35 atoms in block 76
Block first atom: 3224
Blocpdb> 47 atoms in block 77
Block first atom: 3259
Blocpdb> 56 atoms in block 78
Block first atom: 3306
Blocpdb> 38 atoms in block 79
Block first atom: 3362
Blocpdb> 52 atoms in block 80
Block first atom: 3400
Blocpdb> 62 atoms in block 81
Block first atom: 3452
Blocpdb> 58 atoms in block 82
Block first atom: 3514
Blocpdb> 62 atoms in block 83
Block first atom: 3572
Blocpdb> 49 atoms in block 84
Block first atom: 3634
Blocpdb> 41 atoms in block 85
Block first atom: 3683
Blocpdb> 42 atoms in block 86
Block first atom: 3724
Blocpdb> 39 atoms in block 87
Block first atom: 3766
Blocpdb> 45 atoms in block 88
Block first atom: 3805
Blocpdb> 42 atoms in block 89
Block first atom: 3850
Blocpdb> 67 atoms in block 90
Block first atom: 3892
Blocpdb> 48 atoms in block 91
Block first atom: 3959
Blocpdb> 30 atoms in block 92
Block first atom: 4007
Blocpdb> 41 atoms in block 93
Block first atom: 4037
Blocpdb> 35 atoms in block 94
Block first atom: 4078
Blocpdb> 47 atoms in block 95
Block first atom: 4113
Blocpdb> 62 atoms in block 96
Block first atom: 4160
Blocpdb> 50 atoms in block 97
Block first atom: 4222
Blocpdb> 52 atoms in block 98
Block first atom: 4272
Blocpdb> 50 atoms in block 99
Block first atom: 4324
Blocpdb> 58 atoms in block 100
Block first atom: 4374
Blocpdb> 43 atoms in block 101
Block first atom: 4432
Blocpdb> 52 atoms in block 102
Block first atom: 4475
Blocpdb> 56 atoms in block 103
Block first atom: 4527
Blocpdb> 40 atoms in block 104
Block first atom: 4583
Blocpdb> 51 atoms in block 105
Block first atom: 4623
Blocpdb> 53 atoms in block 106
Block first atom: 4674
Blocpdb> 41 atoms in block 107
Block first atom: 4727
Blocpdb> 28 atoms in block 108
Block first atom: 4768
Blocpdb> 27 atoms in block 109
Block first atom: 4796
Blocpdb> 36 atoms in block 110
Block first atom: 4823
Blocpdb> 24 atoms in block 111
Block first atom: 4859
Blocpdb> 53 atoms in block 112
Block first atom: 4883
Blocpdb> 33 atoms in block 113
Block first atom: 4936
Blocpdb> 25 atoms in block 114
Block first atom: 4969
Blocpdb> 32 atoms in block 115
Block first atom: 4994
Blocpdb> 33 atoms in block 116
Block first atom: 5026
Blocpdb> 37 atoms in block 117
Block first atom: 5059
Blocpdb> 40 atoms in block 118
Block first atom: 5096
Blocpdb> 40 atoms in block 119
Block first atom: 5136
Blocpdb> 35 atoms in block 120
Block first atom: 5176
Blocpdb> 46 atoms in block 121
Block first atom: 5211
Blocpdb> 45 atoms in block 122
Block first atom: 5257
Blocpdb> 40 atoms in block 123
Block first atom: 5302
Blocpdb> 51 atoms in block 124
Block first atom: 5342
Blocpdb> 32 atoms in block 125
Block first atom: 5393
Blocpdb> 37 atoms in block 126
Block first atom: 5425
Blocpdb> 50 atoms in block 127
Block first atom: 5462
Blocpdb> 41 atoms in block 128
Block first atom: 5512
Blocpdb> 52 atoms in block 129
Block first atom: 5553
Blocpdb> 32 atoms in block 130
Block first atom: 5605
Blocpdb> 32 atoms in block 131
Block first atom: 5637
Blocpdb> 48 atoms in block 132
Block first atom: 5669
Blocpdb> 38 atoms in block 133
Block first atom: 5717
Blocpdb> 42 atoms in block 134
Block first atom: 5755
Blocpdb> 39 atoms in block 135
Block first atom: 5797
Blocpdb> 46 atoms in block 136
Block first atom: 5836
Blocpdb> 43 atoms in block 137
Block first atom: 5882
Blocpdb> 22 atoms in block 138
Block first atom: 5924
Blocpdb> 138 blocks.
Blocpdb> At most, 67 atoms in each of them.
Blocpdb> At least, 22 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> 3473576 matrix lines read.
Prepmat> Matrix order = 17838
Prepmat> Matrix trace = 7640660.0000
Prepmat> Last element read: 17838 17838 203.3288
Prepmat> 9592 lines saved.
Prepmat> 8379 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: 5946
RTB> Total mass = 5946.0000
RTB> Number of atoms found in matrix: 5946
RTB> Number of blocks = 138
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 265153.6021
RTB> 41562 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 = 828
Diagstd> Nb of non-zero elements: 41562
Diagstd> Projected matrix trace = 265153.6021
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 828 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 265153.6021
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 0.2973398 0.3401074 0.6609238 0.8962507
1.2084117 1.4977808 1.5487478 1.6972845 2.0644781
2.2035749 2.7147207 3.6094742 3.9093113 4.4374103
5.1756216 5.6068108 5.7323869 6.8728212 7.4060607
7.7094126 8.5307955 9.9407456 10.9645250 12.2089637
12.7509732 13.1473327 14.2537119 15.0461614 15.7771189
16.3408848 17.2851366 17.9275751 18.8576410 19.3088066
19.5999435 21.1363600 22.0445287 22.7204114 23.3592511
23.9612544 24.4734346 25.2400188 26.4632757 27.4068773
27.8044372 28.3769171 28.7833176 29.7902091 30.3031650
31.0754057 32.8207304 33.5324465 34.2639318 34.7880574
35.7375468 36.5649522 37.3666268 37.7448575 38.6221160
39.5384192 41.6168995 42.6099068 43.2074182 43.7013219
44.0496239 45.6213201 46.6663488 47.7713627 47.9965020
49.0144557 49.2427648 49.6396926 50.3079860 50.4813585
52.5360150 53.8728140 53.8883314 54.8480662 55.5161016
56.0707898 56.7308767 57.1444221 58.5382318 58.9135002
60.2576471 61.9548178 62.7198512 63.8056926 64.9573322
65.4941280 66.3899913 66.9782516 68.0133823 69.0959276
70.7229692 71.0413662 71.5558193 72.9415503 74.5480733
75.0853925
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034303 0.0034311 0.0034323 0.0034335 0.0034340
0.0034346 59.2136439 63.3290962 88.2817594 102.8040042
119.3720734 132.8982944 135.1405333 141.4726888 156.0272375
161.1978305 178.9195757 206.3085606 214.7066074 228.7494568
247.0452679 257.1302837 259.9938216 284.6838323 295.5213853
301.5129188 317.1684979 342.3771403 359.5755816 379.4326343
387.7635176 393.7441436 409.9767875 421.2191803 431.3294673
438.9682040 451.4729012 459.7863304 471.5621748 477.1698521
480.7537606 499.2411545 509.8538342 517.6108554 524.8373543
531.5572618 537.2083340 545.5569808 558.6207727 568.4929165
572.6013066 578.4660637 582.5935943 592.6960811 597.7771023
605.3460095 622.1131779 628.8222501 635.6438929 640.4870738
649.1688146 656.6406808 663.7999686 667.1510523 674.8594167
682.8179529 700.5354885 708.8438444 713.7965401 717.8646495
720.7196826 733.4646782 741.8177004 750.5490767 752.3156110
760.2516521 762.0202185 765.0852369 770.2181458 771.5441752
787.0890018 797.0399884 797.1547683 804.2219832 809.1047697
813.1368012 817.9090770 820.8847786 830.8355675 833.4944132
842.9491268 854.7376264 859.9986904 867.4111370 875.2041543
878.8129790 884.8029993 888.7143311 895.5554204 902.6544054
913.2202288 915.2735936 918.5816376 927.4334917 937.5911344
940.9639996
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5946
Rtb_to_modes> Number of blocs = 138
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: 9.9789E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9832E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9904E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2973
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3401
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.6609
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.8963
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.208
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.498
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.549
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.697
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.064
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.204
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.715
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.609
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.909
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.437
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.176
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.607
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.732
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 6.873
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 7.406
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 7.709
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 8.531
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 9.941
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 10.96
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 12.21
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 12.75
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 13.15
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 15.05
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 15.78
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.34
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 17.29
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 17.93
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 18.86
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 19.31
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 19.60
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 21.14
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 22.04
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 22.72
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 23.36
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 23.96
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 24.47
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 25.24
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 26.46
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 27.41
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 27.80
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 28.38
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 28.78
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 29.79
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 30.30
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 31.08
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 32.82
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 33.53
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 34.26
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 34.79
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 35.74
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 36.56
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 37.37
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 37.74
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 38.62
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 39.54
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 41.62
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 42.61
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 43.21
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 43.70
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 44.05
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 45.62
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 46.67
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 47.77
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 48.00
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 49.01
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 49.24
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 49.64
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 50.31
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 50.48
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 52.54
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 53.87
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 53.89
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 54.85
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 55.52
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 56.07
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 56.73
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 57.14
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 58.54
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 58.91
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 60.26
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 61.95
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 62.72
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 63.81
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 64.96
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 65.49
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 66.39
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 66.98
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 68.01
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 69.10
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 70.72
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 71.04
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 71.56
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 72.94
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 74.55
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 75.09
Rtb_to_modes> 106 vectors, with 828 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00000 0.99997 0.99999
1.00001 1.00000 1.00000 1.00001 1.00001
1.00002 1.00004 1.00000 0.99997 0.99998
0.99999 0.99997 0.99996 0.99999 0.99999
1.00002 0.99998 1.00001 1.00002 0.99999
0.99998 0.99998 0.99997 0.99995 1.00000
1.00000 0.99997 1.00000 0.99999 0.99998
0.99998 1.00002 0.99996 0.99999 0.99999
1.00000 0.99999 0.99995 1.00001 0.99998
0.99997 1.00002 0.99999 1.00003 1.00000
1.00000 1.00000 1.00002 1.00002 0.99999
0.99998 1.00000 1.00001 1.00000 0.99999
1.00001 0.99999 0.99999 1.00002 1.00001
1.00000 0.99999 0.99994 1.00002 1.00000
1.00000 1.00004 1.00001 1.00000 1.00000
1.00002 1.00002 0.99999 0.99998 0.99996
1.00000 1.00000 0.99998 0.99999 1.00002
0.99999 0.99996 1.00001 0.99999 0.99998
1.00000 1.00002 1.00000 1.00003 0.99999
1.00001 0.99999 1.00002 1.00002 1.00003
0.99999 1.00000 1.00003 1.00000 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 107028 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00000 0.99997 0.99999
1.00001 1.00000 1.00000 1.00001 1.00001
1.00002 1.00004 1.00000 0.99997 0.99998
0.99999 0.99997 0.99996 0.99999 0.99999
1.00002 0.99998 1.00001 1.00002 0.99999
0.99998 0.99998 0.99997 0.99995 1.00000
1.00000 0.99997 1.00000 0.99999 0.99998
0.99998 1.00002 0.99996 0.99999 0.99999
1.00000 0.99999 0.99995 1.00001 0.99998
0.99997 1.00002 0.99999 1.00003 1.00000
1.00000 1.00000 1.00002 1.00002 0.99999
0.99998 1.00000 1.00001 1.00000 0.99999
1.00001 0.99999 0.99999 1.00002 1.00001
1.00000 0.99999 0.99994 1.00002 1.00000
1.00000 1.00004 1.00001 1.00000 1.00000
1.00002 1.00002 0.99999 0.99998 0.99996
1.00000 1.00000 0.99998 0.99999 1.00002
0.99999 0.99996 1.00001 0.99999 0.99998
1.00000 1.00002 1.00000 1.00003 0.99999
1.00001 0.99999 1.00002 1.00002 1.00003
0.99999 1.00000 1.00003 1.00000 1.00001
0.99999
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> 2401041356523843066.eigenfacs
Openam> file on opening on unit 10:
2401041356523843066.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401041356523843066.atom
Openam> file on opening on unit 11:
2401041356523843066.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 = 413
First residue number = 1
Last residue number = 413
Number of atoms found = 5946
Mean number per residue = 14.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9789E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9832E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9904E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8963
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.697
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.064
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.204
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.715
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.609
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 6.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 7.406
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 7.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 8.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 9.941
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 10.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 12.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 12.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 15.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 17.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 17.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 19.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 19.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 21.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 22.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 22.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 23.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 23.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 24.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 25.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 26.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 27.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 27.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 28.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 28.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 29.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 30.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 31.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 32.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 33.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 34.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 34.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 35.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 36.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 37.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 37.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 38.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 39.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 41.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 42.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 43.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 43.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 44.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 45.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 46.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 47.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 48.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 49.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 49.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 49.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 50.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 50.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 52.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 53.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 53.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 54.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 55.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 56.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 56.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 57.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 58.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 58.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 60.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 61.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 62.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 63.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 64.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 65.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 66.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 66.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 68.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 69.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 70.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 71.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 71.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 72.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 74.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 75.09
Bfactors> 106 vectors, 17838 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 : 0.297300
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.040 +/- 0.08
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.040
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401041356523843066 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=0
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=100
2401041356523843066.eigenfacs
2401041356523843066.atom
making animated gifs
11 models are in 2401041356523843066.7.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 2401041356523843066.7.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 2401041356523843066.7.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 2401041356523843066 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=0
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=100
2401041356523843066.eigenfacs
2401041356523843066.atom
making animated gifs
11 models are in 2401041356523843066.8.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 2401041356523843066.8.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 2401041356523843066.8.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 2401041356523843066 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=0
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=100
2401041356523843066.eigenfacs
2401041356523843066.atom
making animated gifs
11 models are in 2401041356523843066.9.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 2401041356523843066.9.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 2401041356523843066.9.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 2401041356523843066 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=0
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=100
2401041356523843066.eigenfacs
2401041356523843066.atom
making animated gifs
11 models are in 2401041356523843066.10.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 2401041356523843066.10.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 2401041356523843066.10.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 2401041356523843066 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=-20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=0
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=20
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=40
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=60
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=80
2401041356523843066.eigenfacs
2401041356523843066.atom
calculating perturbed structure for DQ=100
2401041356523843066.eigenfacs
2401041356523843066.atom
making animated gifs
11 models are in 2401041356523843066.11.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 2401041356523843066.11.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 2401041356523843066.11.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
2401041356523843066.10.pdb
2401041356523843066.11.pdb
2401041356523843066.7.pdb
2401041356523843066.8.pdb
2401041356523843066.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m20.716s
user 0m20.603s
sys 0m0.112s
../../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: 2401041356523843066.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.
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