*** test2_3FXI ***
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 = 2403081016482257048.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 2403081016482257048.atom to be opened.
Openam> File opened: 2403081016482257048.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 = 1482
First residue number = 27
Last residue number = 158
Number of atoms found = 11872
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 11.246753 +/- 14.251822 From: -27.246000 To: 49.701000
= -5.253577 +/- 20.700009 From: -52.813000 To: 51.594000
= -5.108958 +/- 31.897132 From: -73.735000 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 0.7169 % Filled.
Pdbmat> 4546877 non-zero elements.
Pdbmat> 497380 atom-atom interactions.
Pdbmat> Number per atom= 83.79 +/- 20.45
Maximum number = 131
Minimum number = 14
Pdbmat> Matrix trace = 9.947600E+06
Pdbmat> Larger element = 486.351
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1482 non-zero elements, NRBL set to 8
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 = 2403081016482257048.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 8
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 2403081016482257048.atom to be opened.
Openam> file on opening on unit 11:
2403081016482257048.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 11872 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 8 residue(s) per block.
Blocpdb> 1482 residues.
Blocpdb> 59 atoms in block 1
Block first atom: 1
Blocpdb> 67 atoms in block 2
Block first atom: 60
Blocpdb> 71 atoms in block 3
Block first atom: 127
Blocpdb> 64 atoms in block 4
Block first atom: 198
Blocpdb> 64 atoms in block 5
Block first atom: 262
Blocpdb> 68 atoms in block 6
Block first atom: 326
Blocpdb> 68 atoms in block 7
Block first atom: 394
Blocpdb> 64 atoms in block 8
Block first atom: 462
Blocpdb> 62 atoms in block 9
Block first atom: 526
Blocpdb> 60 atoms in block 10
Block first atom: 588
Blocpdb> 58 atoms in block 11
Block first atom: 648
Blocpdb> 56 atoms in block 12
Block first atom: 706
Blocpdb> 56 atoms in block 13
Block first atom: 762
Blocpdb> 59 atoms in block 14
Block first atom: 818
Blocpdb> 62 atoms in block 15
Block first atom: 877
Blocpdb> 64 atoms in block 16
Block first atom: 939
Blocpdb> 62 atoms in block 17
Block first atom: 1003
Blocpdb> 71 atoms in block 18
Block first atom: 1065
Blocpdb> 65 atoms in block 19
Block first atom: 1136
Blocpdb> 63 atoms in block 20
Block first atom: 1201
Blocpdb> 64 atoms in block 21
Block first atom: 1264
Blocpdb> 68 atoms in block 22
Block first atom: 1328
Blocpdb> 62 atoms in block 23
Block first atom: 1396
Blocpdb> 64 atoms in block 24
Block first atom: 1458
Blocpdb> 62 atoms in block 25
Block first atom: 1522
Blocpdb> 72 atoms in block 26
Block first atom: 1584
Blocpdb> 64 atoms in block 27
Block first atom: 1656
Blocpdb> 59 atoms in block 28
Block first atom: 1720
Blocpdb> 62 atoms in block 29
Block first atom: 1779
Blocpdb> 67 atoms in block 30
Block first atom: 1841
Blocpdb> 66 atoms in block 31
Block first atom: 1908
Blocpdb> 54 atoms in block 32
Block first atom: 1974
Blocpdb> 71 atoms in block 33
Block first atom: 2028
Blocpdb> 73 atoms in block 34
Block first atom: 2099
Blocpdb> 65 atoms in block 35
Block first atom: 2172
Blocpdb> 59 atoms in block 36
Block first atom: 2237
Blocpdb> 63 atoms in block 37
Block first atom: 2296
Blocpdb> 72 atoms in block 38
Block first atom: 2359
Blocpdb> 69 atoms in block 39
Block first atom: 2431
Blocpdb> 65 atoms in block 40
Block first atom: 2500
Blocpdb> 64 atoms in block 41
Block first atom: 2565
Blocpdb> 67 atoms in block 42
Block first atom: 2629
Blocpdb> 54 atoms in block 43
Block first atom: 2696
Blocpdb> 65 atoms in block 44
Block first atom: 2750
Blocpdb> 59 atoms in block 45
Block first atom: 2815
Blocpdb> 57 atoms in block 46
Block first atom: 2874
Blocpdb> 60 atoms in block 47
Block first atom: 2931
Blocpdb> 65 atoms in block 48
Block first atom: 2991
Blocpdb> 61 atoms in block 49
Block first atom: 3056
Blocpdb> 65 atoms in block 50
Block first atom: 3117
Blocpdb> 68 atoms in block 51
Block first atom: 3182
Blocpdb> 65 atoms in block 52
Block first atom: 3250
Blocpdb> 68 atoms in block 53
Block first atom: 3315
Blocpdb> 69 atoms in block 54
Block first atom: 3383
Blocpdb> 61 atoms in block 55
Block first atom: 3452
Blocpdb> 60 atoms in block 56
Block first atom: 3513
Blocpdb> 55 atoms in block 57
Block first atom: 3573
Blocpdb> 71 atoms in block 58
Block first atom: 3628
Blocpdb> 70 atoms in block 59
Block first atom: 3699
Blocpdb> 63 atoms in block 60
Block first atom: 3769
Blocpdb> 63 atoms in block 61
Block first atom: 3832
Blocpdb> 58 atoms in block 62
Block first atom: 3895
Blocpdb> 64 atoms in block 63
Block first atom: 3953
Blocpdb> 70 atoms in block 64
Block first atom: 4017
Blocpdb> 64 atoms in block 65
Block first atom: 4087
Blocpdb> 66 atoms in block 66
Block first atom: 4151
Blocpdb> 66 atoms in block 67
Block first atom: 4217
Blocpdb> 66 atoms in block 68
Block first atom: 4283
Blocpdb> 64 atoms in block 69
Block first atom: 4349
Blocpdb> 60 atoms in block 70
Block first atom: 4413
Blocpdb> 75 atoms in block 71
Block first atom: 4473
Blocpdb> 69 atoms in block 72
Block first atom: 4548
Blocpdb> 64 atoms in block 73
Block first atom: 4617
Blocpdb> 58 atoms in block 74
Block first atom: 4681
Blocpdb> 59 atoms in block 75
Block first atom: 4739
Blocpdb> 6 atoms in block 76
Block first atom: 4798
Blocpdb> 59 atoms in block 77
Block first atom: 4804
Blocpdb> 67 atoms in block 78
Block first atom: 4863
Blocpdb> 71 atoms in block 79
Block first atom: 4930
Blocpdb> 64 atoms in block 80
Block first atom: 5001
Blocpdb> 64 atoms in block 81
Block first atom: 5065
Blocpdb> 68 atoms in block 82
Block first atom: 5129
Blocpdb> 68 atoms in block 83
Block first atom: 5197
Blocpdb> 64 atoms in block 84
Block first atom: 5265
Blocpdb> 62 atoms in block 85
Block first atom: 5329
Blocpdb> 60 atoms in block 86
Block first atom: 5391
Blocpdb> 58 atoms in block 87
Block first atom: 5451
Blocpdb> 56 atoms in block 88
Block first atom: 5509
Blocpdb> 56 atoms in block 89
Block first atom: 5565
Blocpdb> 59 atoms in block 90
Block first atom: 5621
Blocpdb> 62 atoms in block 91
Block first atom: 5680
Blocpdb> 64 atoms in block 92
Block first atom: 5742
Blocpdb> 62 atoms in block 93
Block first atom: 5806
Blocpdb> 71 atoms in block 94
Block first atom: 5868
Blocpdb> 65 atoms in block 95
Block first atom: 5939
Blocpdb> 63 atoms in block 96
Block first atom: 6004
Blocpdb> 64 atoms in block 97
Block first atom: 6067
Blocpdb> 68 atoms in block 98
Block first atom: 6131
Blocpdb> 62 atoms in block 99
Block first atom: 6199
Blocpdb> 64 atoms in block 100
Block first atom: 6261
Blocpdb> 62 atoms in block 101
Block first atom: 6325
Blocpdb> 72 atoms in block 102
Block first atom: 6387
Blocpdb> 64 atoms in block 103
Block first atom: 6459
Blocpdb> 59 atoms in block 104
Block first atom: 6523
Blocpdb> 62 atoms in block 105
Block first atom: 6582
Blocpdb> 67 atoms in block 106
Block first atom: 6644
Blocpdb> 66 atoms in block 107
Block first atom: 6711
Blocpdb> 54 atoms in block 108
Block first atom: 6777
Blocpdb> 71 atoms in block 109
Block first atom: 6831
Blocpdb> 73 atoms in block 110
Block first atom: 6902
Blocpdb> 65 atoms in block 111
Block first atom: 6975
Blocpdb> 59 atoms in block 112
Block first atom: 7040
Blocpdb> 63 atoms in block 113
Block first atom: 7099
Blocpdb> 72 atoms in block 114
Block first atom: 7162
Blocpdb> 69 atoms in block 115
Block first atom: 7234
Blocpdb> 65 atoms in block 116
Block first atom: 7303
Blocpdb> 64 atoms in block 117
Block first atom: 7368
Blocpdb> 67 atoms in block 118
Block first atom: 7432
Blocpdb> 54 atoms in block 119
Block first atom: 7499
Blocpdb> 65 atoms in block 120
Block first atom: 7553
Blocpdb> 59 atoms in block 121
Block first atom: 7618
Blocpdb> 57 atoms in block 122
Block first atom: 7677
Blocpdb> 60 atoms in block 123
Block first atom: 7734
Blocpdb> 65 atoms in block 124
Block first atom: 7794
Blocpdb> 61 atoms in block 125
Block first atom: 7859
Blocpdb> 65 atoms in block 126
Block first atom: 7920
Blocpdb> 68 atoms in block 127
Block first atom: 7985
Blocpdb> 65 atoms in block 128
Block first atom: 8053
Blocpdb> 68 atoms in block 129
Block first atom: 8118
Blocpdb> 69 atoms in block 130
Block first atom: 8186
Blocpdb> 61 atoms in block 131
Block first atom: 8255
Blocpdb> 60 atoms in block 132
Block first atom: 8316
Blocpdb> 55 atoms in block 133
Block first atom: 8376
Blocpdb> 71 atoms in block 134
Block first atom: 8431
Blocpdb> 70 atoms in block 135
Block first atom: 8502
Blocpdb> 63 atoms in block 136
Block first atom: 8572
Blocpdb> 63 atoms in block 137
Block first atom: 8635
Blocpdb> 58 atoms in block 138
Block first atom: 8698
Blocpdb> 64 atoms in block 139
Block first atom: 8756
Blocpdb> 70 atoms in block 140
Block first atom: 8820
Blocpdb> 64 atoms in block 141
Block first atom: 8890
Blocpdb> 66 atoms in block 142
Block first atom: 8954
Blocpdb> 66 atoms in block 143
Block first atom: 9020
Blocpdb> 66 atoms in block 144
Block first atom: 9086
Blocpdb> 64 atoms in block 145
Block first atom: 9152
Blocpdb> 60 atoms in block 146
Block first atom: 9216
Blocpdb> 75 atoms in block 147
Block first atom: 9276
Blocpdb> 69 atoms in block 148
Block first atom: 9351
Blocpdb> 64 atoms in block 149
Block first atom: 9420
Blocpdb> 58 atoms in block 150
Block first atom: 9484
Blocpdb> 59 atoms in block 151
Block first atom: 9542
Blocpdb> 6 atoms in block 152
Block first atom: 9601
Blocpdb> 74 atoms in block 153
Block first atom: 9607
Blocpdb> 57 atoms in block 154
Block first atom: 9681
Blocpdb> 71 atoms in block 155
Block first atom: 9738
Blocpdb> 59 atoms in block 156
Block first atom: 9809
Blocpdb> 59 atoms in block 157
Block first atom: 9868
Blocpdb> 69 atoms in block 158
Block first atom: 9927
Blocpdb> 71 atoms in block 159
Block first atom: 9996
Blocpdb> 73 atoms in block 160
Block first atom: 10067
Blocpdb> 66 atoms in block 161
Block first atom: 10140
Blocpdb> 60 atoms in block 162
Block first atom: 10206
Blocpdb> 70 atoms in block 163
Block first atom: 10266
Blocpdb> 57 atoms in block 164
Block first atom: 10336
Blocpdb> 65 atoms in block 165
Block first atom: 10393
Blocpdb> 60 atoms in block 166
Block first atom: 10458
Blocpdb> 63 atoms in block 167
Block first atom: 10518
Blocpdb> 57 atoms in block 168
Block first atom: 10581
Blocpdb> 68 atoms in block 169
Block first atom: 10638
Blocpdb> 34 atoms in block 170
Block first atom: 10706
Blocpdb> 74 atoms in block 171
Block first atom: 10740
Blocpdb> 57 atoms in block 172
Block first atom: 10814
Blocpdb> 71 atoms in block 173
Block first atom: 10871
Blocpdb> 59 atoms in block 174
Block first atom: 10942
Blocpdb> 59 atoms in block 175
Block first atom: 11001
Blocpdb> 69 atoms in block 176
Block first atom: 11060
Blocpdb> 71 atoms in block 177
Block first atom: 11129
Blocpdb> 73 atoms in block 178
Block first atom: 11200
Blocpdb> 66 atoms in block 179
Block first atom: 11273
Blocpdb> 60 atoms in block 180
Block first atom: 11339
Blocpdb> 70 atoms in block 181
Block first atom: 11399
Blocpdb> 57 atoms in block 182
Block first atom: 11469
Blocpdb> 65 atoms in block 183
Block first atom: 11526
Blocpdb> 60 atoms in block 184
Block first atom: 11591
Blocpdb> 63 atoms in block 185
Block first atom: 11651
Blocpdb> 57 atoms in block 186
Block first atom: 11714
Blocpdb> 68 atoms in block 187
Block first atom: 11771
Blocpdb> 34 atoms in block 188
Block first atom: 11838
Blocpdb> 188 blocks.
Blocpdb> At most, 75 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> 4547065 matrix lines read.
Prepmat> Matrix order = 35616
Prepmat> Matrix trace = 9947600.0000
Prepmat> Last element read: 35616 35616 54.7889
Prepmat> 17767 lines saved.
Prepmat> 16307 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: 11872
RTB> Total mass = 11872.0000
RTB> Number of atoms found in matrix: 11872
RTB> Number of blocks = 188
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 207594.1891
RTB> 49704 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 = 1128
Diagstd> Nb of non-zero elements: 49704
Diagstd> Projected matrix trace = 207594.1891
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1128 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 207594.1891
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 0.1324582 0.1875536 0.2991260 0.3238214
0.5463695 0.6989957 0.7210665 1.3037404 1.3917745
1.5802650 1.7990201 1.9947372 2.0847352 2.3108750
2.5525518 2.9279171 3.2267058 3.5548090 3.7171165
4.7052535 4.9476552 4.9897877 5.6115649 5.8779435
5.8858216 6.0140755 7.0085698 7.2909292 7.3842927
7.7074433 8.1938179 8.2392823 8.4944902 9.0545684
9.9781247 10.0222064 10.8533644 11.5169120 11.7779493
11.8005355 12.2710913 12.4809675 13.3407794 13.8592612
14.1429047 14.5724377 14.9903559 15.8634118 15.9813220
16.5888215 17.2163838 17.7905657 17.8943562 18.2556275
18.8829201 19.1058417 19.5399692 20.1220588 20.7130677
20.7549402 21.1543505 21.7721198 22.3660068 22.8505323
22.9318111 23.2121595 23.7087301 24.2890498 24.5685325
24.6915099 25.2951672 26.8330102 26.8858641 27.3861547
28.2614374 28.2890205 28.8653806 28.9936999 29.3381863
29.6429818 30.9232553 31.0051325 31.0984925 31.9512420
32.3736550 32.8175324 33.3929061 33.8260458 34.8778828
35.1195754 35.3956776 35.6813682 36.3567453 36.5857044
36.6810519 37.2275092 38.0501331 38.2291227 38.5618847
38.8548145
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034302 0.0034316 0.0034334 0.0034337 0.0034350
0.0034351 39.5216117 47.0281544 59.3912376 61.7942504
80.2672706 90.7888516 92.2110446 123.9911934 128.1090210
136.5086718 145.6509375 153.3691894 156.7908567 165.0758368
173.4932422 185.8123896 195.0630304 204.7403379 209.3622451
235.5519994 241.5432990 242.5695677 257.2392743 263.2740072
263.4503788 266.3052445 287.4815529 293.2153626 295.0867652
301.4744063 310.8410987 311.7022744 316.4928767 326.7602029
343.0202384 343.7771069 357.7482130 368.5219020 372.6748795
373.0320420 380.3968168 383.6360456 396.6302941 404.2642336
408.3801150 414.5351713 420.4373139 432.5074368 434.1118400
442.2858523 450.5741254 458.0260295 459.3601527 463.9740198
471.8781387 474.6553362 480.0176619 487.1149820 494.2167867
494.7160768 499.4535780 506.6938558 513.5580090 519.0909306
520.0133078 523.1823129 528.7488388 535.1808229 538.2510535
539.5964757 546.1526653 562.5096507 563.0633754 568.2779551
577.2878321 577.5694792 583.4235086 584.7188574 588.1822456
591.2296753 603.8622535 604.6611645 605.5708322 613.8173394
617.8615186 622.0828685 627.5125100 631.5691333 641.3134339
643.5316465 646.0563446 648.6583747 654.7685022 656.8269908
657.6823256 662.5631379 669.8435354 671.4171747 674.3329891
676.8893794
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 11872
Rtb_to_modes> Number of blocs = 188
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: 9.9780E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9864E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9966E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1325
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1876
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2991
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3238
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.5464
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.6990
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.7211
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.304
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.392
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.580
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.799
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 1.995
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.085
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.311
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.553
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.928
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 3.227
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 3.555
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.717
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 4.705
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 4.948
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 4.990
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 5.612
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 5.878
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 5.886
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 6.014
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 7.009
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 7.291
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 7.384
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 7.707
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 8.194
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 8.239
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 8.494
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 9.055
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 9.978
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 10.02
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 10.85
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 11.52
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 11.78
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 12.27
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 12.48
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.34
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 13.86
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 14.14
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 14.57
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 14.99
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 15.86
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 15.98
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 16.59
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 17.22
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 17.79
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 18.26
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 18.88
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 19.11
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 19.54
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 20.12
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 20.71
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 20.75
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 21.15
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 21.77
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 22.37
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 22.85
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 22.93
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 23.21
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 23.71
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 24.29
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 24.57
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 24.69
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 25.30
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 26.83
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 26.89
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 27.39
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 28.26
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 28.29
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 28.87
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 28.99
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 29.34
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 29.64
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 30.92
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 31.01
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 31.10
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 31.95
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 32.37
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 32.82
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 33.39
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 33.83
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 34.88
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 35.12
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 35.40
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 35.68
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 36.36
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 36.59
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 36.68
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 37.23
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 38.05
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 38.23
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 38.56
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 38.85
Rtb_to_modes> 106 vectors, with 1128 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 1.00001 1.00000 0.99999
1.00003 0.99999 0.99996 0.99998 1.00000
1.00000 0.99999 1.00000 0.99999 0.99999
0.99996 1.00002 1.00001 1.00000 1.00000
1.00000 0.99998 1.00000 0.99999 1.00001
1.00000 1.00000 1.00000 0.99999 1.00001
1.00000 1.00000 1.00000 1.00001 1.00000
0.99999 1.00001 1.00002 1.00000 1.00000
1.00001 1.00000 1.00002 1.00001 1.00000
1.00002 1.00001 0.99999 0.99999 1.00001
1.00001 0.99998 1.00000 1.00001 0.99999
1.00001 1.00000 1.00001 0.99999 0.99997
0.99997 0.99998 0.99999 1.00001 1.00000
1.00000 1.00000 1.00000 1.00001 1.00000
1.00002 0.99997 1.00002 1.00002 0.99999
0.99999 1.00001 1.00000 1.00000 0.99999
1.00001 1.00001 1.00000 1.00001 0.99999
1.00001 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 0.99999 0.99999 1.00000
1.00002 1.00000 1.00001 1.00000 1.00000
1.00001 1.00002 1.00000 1.00001 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 213696 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 1.00001 1.00000 0.99999
1.00003 0.99999 0.99996 0.99998 1.00000
1.00000 0.99999 1.00000 0.99999 0.99999
0.99996 1.00002 1.00001 1.00000 1.00000
1.00000 0.99998 1.00000 0.99999 1.00001
1.00000 1.00000 1.00000 0.99999 1.00001
1.00000 1.00000 1.00000 1.00001 1.00000
0.99999 1.00001 1.00002 1.00000 1.00000
1.00001 1.00000 1.00002 1.00001 1.00000
1.00002 1.00001 0.99999 0.99999 1.00001
1.00001 0.99998 1.00000 1.00001 0.99999
1.00001 1.00000 1.00001 0.99999 0.99997
0.99997 0.99998 0.99999 1.00001 1.00000
1.00000 1.00000 1.00000 1.00001 1.00000
1.00002 0.99997 1.00002 1.00002 0.99999
0.99999 1.00001 1.00000 1.00000 0.99999
1.00001 1.00001 1.00000 1.00001 0.99999
1.00001 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 0.99999 0.99999 1.00000
1.00002 1.00000 1.00001 1.00000 1.00000
1.00001 1.00002 1.00000 1.00001 1.00000
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> 2403081016482257048.eigenfacs
Openam> file on opening on unit 10:
2403081016482257048.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403081016482257048.atom
Openam> file on opening on unit 11:
2403081016482257048.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 = 1482
First residue number = 27
Last residue number = 158
Number of atoms found = 11872
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: 9.9780E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9864E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9966E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1325
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2991
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3238
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.304
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.392
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.799
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 1.995
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.085
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 3.227
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 3.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 4.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 5.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.886
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 6.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 7.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 7.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 7.384
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 7.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 8.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 8.239
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 8.494
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 10.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 10.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 11.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 11.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 12.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 12.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 13.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 14.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 14.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 14.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 15.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 15.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 16.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 17.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 17.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 18.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 18.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 19.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 20.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 20.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 20.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 21.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 21.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 22.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 22.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 22.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 23.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 23.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 24.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 24.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 24.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 25.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 26.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 26.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 27.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 28.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 28.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 28.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 28.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 29.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 29.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 30.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 31.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 31.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 31.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 32.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 32.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 33.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 33.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 34.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 35.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 35.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 35.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 36.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 36.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 37.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 38.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 38.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 38.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 38.85
Bfactors> 106 vectors, 35616 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 : 0.132500
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= 0.782 for 1482 C-alpha atoms.
Bfactors> = 0.045 +/- 0.04
Bfactors> = 79.190 +/- 28.00
Bfactors> Shiftng-fct= 79.145
Bfactors> Scaling-fct= 770.743
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403081016482257048 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=0
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=100
2403081016482257048.eigenfacs
2403081016482257048.atom
making animated gifs
11 models are in 2403081016482257048.7.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 2403081016482257048.7.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 2403081016482257048.7.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 2403081016482257048 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=0
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=100
2403081016482257048.eigenfacs
2403081016482257048.atom
making animated gifs
11 models are in 2403081016482257048.8.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 2403081016482257048.8.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 2403081016482257048.8.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 2403081016482257048 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=0
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=100
2403081016482257048.eigenfacs
2403081016482257048.atom
making animated gifs
11 models are in 2403081016482257048.9.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 2403081016482257048.9.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 2403081016482257048.9.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 2403081016482257048 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=0
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=100
2403081016482257048.eigenfacs
2403081016482257048.atom
making animated gifs
11 models are in 2403081016482257048.10.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 2403081016482257048.10.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 2403081016482257048.10.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 2403081016482257048 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=-20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=0
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=20
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=40
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=60
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=80
2403081016482257048.eigenfacs
2403081016482257048.atom
calculating perturbed structure for DQ=100
2403081016482257048.eigenfacs
2403081016482257048.atom
making animated gifs
11 models are in 2403081016482257048.11.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 2403081016482257048.11.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 2403081016482257048.11.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
2403081016482257048.10.pdb
2403081016482257048.11.pdb
2403081016482257048.7.pdb
2403081016482257048.8.pdb
2403081016482257048.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m7.266s
user 1m7.017s
sys 0m0.172s
../../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: 2403081016482257048.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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