*** ***
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 = 2402070958241820737.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 2402070958241820737.atom to be opened.
Openam> File opened: 2402070958241820737.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 = 653
First residue number = 1
Last residue number = 653
Number of atoms found = 5020
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 152.044887 +/- 14.530928 From: 108.807000 To: 180.585000
= 148.557891 +/- 30.402613 From: 63.464000 To: 202.835000
= 172.327616 +/- 23.536762 From: 97.012000 To: 216.728000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.5498 % Filled.
Pdbmat> 1757656 non-zero elements.
Pdbmat> 191984 atom-atom interactions.
Pdbmat> Number per atom= 76.49 +/- 22.70
Maximum number = 133
Minimum number = 10
Pdbmat> Matrix trace = 3.839680E+06
Pdbmat> Larger element = 484.768
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
653 non-zero elements, NRBL set to 4
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2402070958241820737.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2402070958241820737.atom to be opened.
Openam> file on opening on unit 11:
2402070958241820737.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5020 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 653 residues.
Blocpdb> 35 atoms in block 1
Block first atom: 1
Blocpdb> 31 atoms in block 2
Block first atom: 36
Blocpdb> 25 atoms in block 3
Block first atom: 67
Blocpdb> 33 atoms in block 4
Block first atom: 92
Blocpdb> 30 atoms in block 5
Block first atom: 125
Blocpdb> 38 atoms in block 6
Block first atom: 155
Blocpdb> 31 atoms in block 7
Block first atom: 193
Blocpdb> 38 atoms in block 8
Block first atom: 224
Blocpdb> 30 atoms in block 9
Block first atom: 262
Blocpdb> 27 atoms in block 10
Block first atom: 292
Blocpdb> 32 atoms in block 11
Block first atom: 319
Blocpdb> 39 atoms in block 12
Block first atom: 351
Blocpdb> 36 atoms in block 13
Block first atom: 390
Blocpdb> 34 atoms in block 14
Block first atom: 426
Blocpdb> 33 atoms in block 15
Block first atom: 460
Blocpdb> 28 atoms in block 16
Block first atom: 493
Blocpdb> 28 atoms in block 17
Block first atom: 521
Blocpdb> 30 atoms in block 18
Block first atom: 549
Blocpdb> 35 atoms in block 19
Block first atom: 579
Blocpdb> 33 atoms in block 20
Block first atom: 614
Blocpdb> 36 atoms in block 21
Block first atom: 647
Blocpdb> 32 atoms in block 22
Block first atom: 683
Blocpdb> 35 atoms in block 23
Block first atom: 715
Blocpdb> 30 atoms in block 24
Block first atom: 750
Blocpdb> 29 atoms in block 25
Block first atom: 780
Blocpdb> 33 atoms in block 26
Block first atom: 809
Blocpdb> 28 atoms in block 27
Block first atom: 842
Blocpdb> 33 atoms in block 28
Block first atom: 870
Blocpdb> 35 atoms in block 29
Block first atom: 903
Blocpdb> 34 atoms in block 30
Block first atom: 938
Blocpdb> 26 atoms in block 31
Block first atom: 972
Blocpdb> 36 atoms in block 32
Block first atom: 998
Blocpdb> 28 atoms in block 33
Block first atom: 1034
Blocpdb> 30 atoms in block 34
Block first atom: 1062
Blocpdb> 37 atoms in block 35
Block first atom: 1092
Blocpdb> 34 atoms in block 36
Block first atom: 1129
Blocpdb> 31 atoms in block 37
Block first atom: 1163
Blocpdb> 30 atoms in block 38
Block first atom: 1194
Blocpdb> 33 atoms in block 39
Block first atom: 1224
Blocpdb> 35 atoms in block 40
Block first atom: 1257
Blocpdb> 25 atoms in block 41
Block first atom: 1292
Blocpdb> 30 atoms in block 42
Block first atom: 1317
Blocpdb> 27 atoms in block 43
Block first atom: 1347
Blocpdb> 30 atoms in block 44
Block first atom: 1374
Blocpdb> 22 atoms in block 45
Block first atom: 1404
Blocpdb> 32 atoms in block 46
Block first atom: 1426
Blocpdb> 33 atoms in block 47
Block first atom: 1458
Blocpdb> 27 atoms in block 48
Block first atom: 1491
Blocpdb> 30 atoms in block 49
Block first atom: 1518
Blocpdb> 32 atoms in block 50
Block first atom: 1548
Blocpdb> 26 atoms in block 51
Block first atom: 1580
Blocpdb> 26 atoms in block 52
Block first atom: 1606
Blocpdb> 33 atoms in block 53
Block first atom: 1632
Blocpdb> 20 atoms in block 54
Block first atom: 1665
Blocpdb> 29 atoms in block 55
Block first atom: 1685
Blocpdb> 29 atoms in block 56
Block first atom: 1714
Blocpdb> 32 atoms in block 57
Block first atom: 1743
Blocpdb> 39 atoms in block 58
Block first atom: 1775
Blocpdb> 27 atoms in block 59
Block first atom: 1814
Blocpdb> 30 atoms in block 60
Block first atom: 1841
Blocpdb> 30 atoms in block 61
Block first atom: 1871
Blocpdb> 35 atoms in block 62
Block first atom: 1901
Blocpdb> 35 atoms in block 63
Block first atom: 1936
Blocpdb> 31 atoms in block 64
Block first atom: 1971
Blocpdb> 29 atoms in block 65
Block first atom: 2002
Blocpdb> 33 atoms in block 66
Block first atom: 2031
Blocpdb> 25 atoms in block 67
Block first atom: 2064
Blocpdb> 31 atoms in block 68
Block first atom: 2089
Blocpdb> 38 atoms in block 69
Block first atom: 2120
Blocpdb> 32 atoms in block 70
Block first atom: 2158
Blocpdb> 23 atoms in block 71
Block first atom: 2190
Blocpdb> 26 atoms in block 72
Block first atom: 2213
Blocpdb> 31 atoms in block 73
Block first atom: 2239
Blocpdb> 35 atoms in block 74
Block first atom: 2270
Blocpdb> 30 atoms in block 75
Block first atom: 2305
Blocpdb> 33 atoms in block 76
Block first atom: 2335
Blocpdb> 26 atoms in block 77
Block first atom: 2368
Blocpdb> 33 atoms in block 78
Block first atom: 2394
Blocpdb> 26 atoms in block 79
Block first atom: 2427
Blocpdb> 25 atoms in block 80
Block first atom: 2453
Blocpdb> 34 atoms in block 81
Block first atom: 2478
Blocpdb> 30 atoms in block 82
Block first atom: 2512
Blocpdb> 28 atoms in block 83
Block first atom: 2542
Blocpdb> 39 atoms in block 84
Block first atom: 2570
Blocpdb> 27 atoms in block 85
Block first atom: 2609
Blocpdb> 26 atoms in block 86
Block first atom: 2636
Blocpdb> 34 atoms in block 87
Block first atom: 2662
Blocpdb> 30 atoms in block 88
Block first atom: 2696
Blocpdb> 29 atoms in block 89
Block first atom: 2726
Blocpdb> 35 atoms in block 90
Block first atom: 2755
Blocpdb> 30 atoms in block 91
Block first atom: 2790
Blocpdb> 33 atoms in block 92
Block first atom: 2820
Blocpdb> 33 atoms in block 93
Block first atom: 2853
Blocpdb> 32 atoms in block 94
Block first atom: 2886
Blocpdb> 30 atoms in block 95
Block first atom: 2918
Blocpdb> 33 atoms in block 96
Block first atom: 2948
Blocpdb> 35 atoms in block 97
Block first atom: 2981
Blocpdb> 34 atoms in block 98
Block first atom: 3016
Blocpdb> 34 atoms in block 99
Block first atom: 3050
Blocpdb> 34 atoms in block 100
Block first atom: 3084
Blocpdb> 31 atoms in block 101
Block first atom: 3118
Blocpdb> 36 atoms in block 102
Block first atom: 3149
Blocpdb> 34 atoms in block 103
Block first atom: 3185
Blocpdb> 26 atoms in block 104
Block first atom: 3219
Blocpdb> 29 atoms in block 105
Block first atom: 3245
Blocpdb> 29 atoms in block 106
Block first atom: 3274
Blocpdb> 29 atoms in block 107
Block first atom: 3303
Blocpdb> 34 atoms in block 108
Block first atom: 3332
Blocpdb> 26 atoms in block 109
Block first atom: 3366
Blocpdb> 29 atoms in block 110
Block first atom: 3392
Blocpdb> 29 atoms in block 111
Block first atom: 3421
Blocpdb> 31 atoms in block 112
Block first atom: 3450
Blocpdb> 31 atoms in block 113
Block first atom: 3481
Blocpdb> 40 atoms in block 114
Block first atom: 3512
Blocpdb> 28 atoms in block 115
Block first atom: 3552
Blocpdb> 29 atoms in block 116
Block first atom: 3580
Blocpdb> 31 atoms in block 117
Block first atom: 3609
Blocpdb> 32 atoms in block 118
Block first atom: 3640
Blocpdb> 29 atoms in block 119
Block first atom: 3672
Blocpdb> 25 atoms in block 120
Block first atom: 3701
Blocpdb> 28 atoms in block 121
Block first atom: 3726
Blocpdb> 27 atoms in block 122
Block first atom: 3754
Blocpdb> 33 atoms in block 123
Block first atom: 3781
Blocpdb> 27 atoms in block 124
Block first atom: 3814
Blocpdb> 32 atoms in block 125
Block first atom: 3841
Blocpdb> 31 atoms in block 126
Block first atom: 3873
Blocpdb> 28 atoms in block 127
Block first atom: 3904
Blocpdb> 33 atoms in block 128
Block first atom: 3932
Blocpdb> 31 atoms in block 129
Block first atom: 3965
Blocpdb> 29 atoms in block 130
Block first atom: 3996
Blocpdb> 36 atoms in block 131
Block first atom: 4025
Blocpdb> 35 atoms in block 132
Block first atom: 4061
Blocpdb> 29 atoms in block 133
Block first atom: 4096
Blocpdb> 32 atoms in block 134
Block first atom: 4125
Blocpdb> 30 atoms in block 135
Block first atom: 4157
Blocpdb> 30 atoms in block 136
Block first atom: 4187
Blocpdb> 28 atoms in block 137
Block first atom: 4217
Blocpdb> 26 atoms in block 138
Block first atom: 4245
Blocpdb> 30 atoms in block 139
Block first atom: 4271
Blocpdb> 30 atoms in block 140
Block first atom: 4301
Blocpdb> 32 atoms in block 141
Block first atom: 4331
Blocpdb> 30 atoms in block 142
Block first atom: 4363
Blocpdb> 29 atoms in block 143
Block first atom: 4393
Blocpdb> 24 atoms in block 144
Block first atom: 4422
Blocpdb> 29 atoms in block 145
Block first atom: 4446
Blocpdb> 36 atoms in block 146
Block first atom: 4475
Blocpdb> 34 atoms in block 147
Block first atom: 4511
Blocpdb> 26 atoms in block 148
Block first atom: 4545
Blocpdb> 30 atoms in block 149
Block first atom: 4571
Blocpdb> 31 atoms in block 150
Block first atom: 4601
Blocpdb> 29 atoms in block 151
Block first atom: 4632
Blocpdb> 22 atoms in block 152
Block first atom: 4661
Blocpdb> 27 atoms in block 153
Block first atom: 4683
Blocpdb> 26 atoms in block 154
Block first atom: 4710
Blocpdb> 31 atoms in block 155
Block first atom: 4736
Blocpdb> 26 atoms in block 156
Block first atom: 4767
Blocpdb> 23 atoms in block 157
Block first atom: 4793
Blocpdb> 29 atoms in block 158
Block first atom: 4816
Blocpdb> 30 atoms in block 159
Block first atom: 4845
Blocpdb> 25 atoms in block 160
Block first atom: 4875
Blocpdb> 31 atoms in block 161
Block first atom: 4900
Blocpdb> 43 atoms in block 162
Block first atom: 4931
Blocpdb> 35 atoms in block 163
Block first atom: 4974
Blocpdb> 12 atoms in block 164
Block first atom: 5008
Blocpdb> 164 blocks.
Blocpdb> At most, 43 atoms in each of them.
Blocpdb> At least, 12 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> 1757820 matrix lines read.
Prepmat> Matrix order = 15060
Prepmat> Matrix trace = 3839680.0000
Prepmat> Last element read: 15060 15060 162.2555
Prepmat> 13531 lines saved.
Prepmat> 12291 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: 5020
RTB> Total mass = 5020.0000
RTB> Number of atoms found in matrix: 5020
RTB> Number of blocks = 164
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 180666.4429
RTB> 42144 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 = 984
Diagstd> Nb of non-zero elements: 42144
Diagstd> Projected matrix trace = 180666.4429
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 984 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 180666.4429
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 0.0064839 0.0118072 0.0289933 0.0439591
0.0584488 0.1158891 0.2099782 0.2835316 0.3360347
0.4638989 0.6113364 0.6937665 0.8259808 0.8535753
1.1181544 1.2410709 1.4176524 1.4614561 1.6486789
2.0247080 2.4425837 2.6337620 2.8208587 3.0619130
3.5726945 3.7830292 4.0081360 4.4166772 4.9768190
5.6339673 5.7086217 5.7621551 6.2505182 6.8035276
6.8993015 7.1219753 7.2495875 7.7146550 7.9160378
8.5550439 8.8537977 9.1393879 9.4297570 9.6763502
10.0656263 10.5153179 10.8802711 11.2420805 11.9934098
12.3402275 12.6260587 12.9175934 13.4530041 14.0099538
14.5122826 15.2190678 15.6842065 16.2245467 16.2624154
16.7120588 16.9969107 17.2364631 17.8674738 18.2289562
18.4585056 18.7692917 19.0499967 19.9891053 20.1015516
20.7676795 21.0001549 21.8004040 21.8452452 22.4875779
22.8283871 23.3867772 23.8700978 24.3184395 24.7625380
24.9919375 25.6877913 26.2419372 26.3176777 27.2339110
27.3250400 27.7927579 28.2853705 28.7180828 29.1119502
29.1627502 29.5495210 29.9288956 30.3137220 31.0343506
31.4347641 32.0063252 32.1113229 32.3298586 33.0413458
33.2472738
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034340 0.0034340 0.0034342 0.0034346
0.0034347 8.7440492 11.7996187 18.4903064 22.7677221
26.2532555 36.9672010 49.7602278 57.8223903 62.9487816
73.9617127 84.9054165 90.4486165 98.6916148 100.3266239
114.8275705 120.9744264 129.2945340 131.2768540 139.4322776
154.5170745 169.7149147 176.2315016 182.3836687 190.0166704
205.2547527 211.2103171 217.4034879 228.2144349 242.2541379
257.7522349 259.4543232 260.6680193 271.4896586 283.2450674
285.2317340 289.7980861 292.3828715 301.6154166 305.5267277
317.6189463 323.1171997 328.2871140 333.4613711 337.7933297
344.5209854 352.1328025 358.1913870 364.0982779 376.0682053
381.4669022 385.8594861 390.2887967 398.2950583 406.4560865
413.6786840 423.6325340 430.0575299 437.4028071 437.9129674
443.9256685 447.6929720 450.8367987 459.0149785 463.6349650
466.5450101 470.4562285 473.9611375 485.5030456 486.8667000
494.8678799 497.6299719 507.0228726 507.5440518 514.9518475
518.8393349 525.1464926 530.5451876 535.5045086 540.3720250
542.8692513 550.3749545 556.2797186 557.0819181 566.6961827
567.6435182 572.4810330 577.5322173 581.9330222 585.9100264
586.4210066 590.2969002 594.0741097 597.8812202 604.9460029
608.8360826 614.3462149 615.3530802 617.4434430 624.2005460
626.1426693
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5020
Rtb_to_modes> Number of blocs = 164
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: 9.9902E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.4839E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.1807E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.8993E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.3959E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.8449E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1159
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2100
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2835
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3360
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4639
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.6113
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6938
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8260
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.8536
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.118
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.241
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.418
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.461
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.649
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.025
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.443
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.634
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.821
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.062
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.573
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.783
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.008
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 4.417
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.977
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 5.634
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 5.709
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.762
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 6.251
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 6.804
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 6.899
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 7.122
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 7.250
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 7.715
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 7.916
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 8.555
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 8.854
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 9.139
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 9.430
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 9.676
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 10.52
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 10.88
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 11.24
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 11.99
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 12.34
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 12.63
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 13.45
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 14.01
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 14.51
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 15.22
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 15.68
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 16.22
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 16.26
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 16.71
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 17.00
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 17.24
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 17.87
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 18.23
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 18.46
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 18.77
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 19.05
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 19.99
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 20.10
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 20.77
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 21.00
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 21.80
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 21.85
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 22.49
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 22.83
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 23.39
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 23.87
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 24.32
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 24.76
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 24.99
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 25.69
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 26.24
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 26.32
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 27.23
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 27.33
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 27.79
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 28.29
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 28.72
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 29.11
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 29.16
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 29.55
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 29.93
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 30.31
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 31.03
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 31.43
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 32.01
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 32.11
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 32.33
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 33.04
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 33.25
Rtb_to_modes> 106 vectors, with 984 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 1.00002 0.99999 1.00000
1.00000 1.00001 1.00002 0.99999 0.99995
1.00003 0.99999 1.00002 1.00000 0.99998
1.00004 1.00001 0.99998 1.00000 1.00003
0.99999 1.00000 0.99999 0.99997 1.00000
1.00000 1.00000 0.99999 0.99998 1.00000
0.99998 0.99998 1.00000 0.99999 1.00003
0.99998 1.00004 0.99999 0.99997 1.00004
0.99998 1.00001 1.00002 1.00001 0.99999
1.00002 1.00000 1.00001 1.00001 1.00000
0.99999 0.99999 1.00000 1.00001 1.00002
0.99999 1.00000 1.00005 0.99999 0.99999
0.99999 0.99999 1.00000 1.00001 0.99999
1.00002 0.99999 1.00002 0.99998 1.00002
1.00001 1.00001 1.00001 1.00002 1.00002
1.00000 0.99997 1.00001 0.99999 1.00002
0.99998 0.99998 0.99998 0.99999 1.00001
1.00000 1.00001 1.00000 1.00001 1.00002
1.00000 1.00000 0.99999 0.99997 1.00003
0.99999 1.00001 0.99996 1.00000 1.00002
1.00000 1.00000 1.00000 0.99998 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 90360 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99999 1.00002 0.99999 1.00000
1.00000 1.00001 1.00002 0.99999 0.99995
1.00003 0.99999 1.00002 1.00000 0.99998
1.00004 1.00001 0.99998 1.00000 1.00003
0.99999 1.00000 0.99999 0.99997 1.00000
1.00000 1.00000 0.99999 0.99998 1.00000
0.99998 0.99998 1.00000 0.99999 1.00003
0.99998 1.00004 0.99999 0.99997 1.00004
0.99998 1.00001 1.00002 1.00001 0.99999
1.00002 1.00000 1.00001 1.00001 1.00000
0.99999 0.99999 1.00000 1.00001 1.00002
0.99999 1.00000 1.00005 0.99999 0.99999
0.99999 0.99999 1.00000 1.00001 0.99999
1.00002 0.99999 1.00002 0.99998 1.00002
1.00001 1.00001 1.00001 1.00002 1.00002
1.00000 0.99997 1.00001 0.99999 1.00002
0.99998 0.99998 0.99998 0.99999 1.00001
1.00000 1.00001 1.00000 1.00001 1.00002
1.00000 1.00000 0.99999 0.99997 1.00003
0.99999 1.00001 0.99996 1.00000 1.00002
1.00000 1.00000 1.00000 0.99998 0.99999
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> 2402070958241820737.eigenfacs
Openam> file on opening on unit 10:
2402070958241820737.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402070958241820737.atom
Openam> file on opening on unit 11:
2402070958241820737.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 = 653
First residue number = 1
Last residue number = 653
Number of atoms found = 5020
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9902E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-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: 6.4839E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1807E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.8993E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.3959E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.8449E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1159
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6938
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8260
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.118
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.241
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.418
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.649
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.573
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.417
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 5.634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 6.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 6.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 6.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 7.122
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 7.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.715
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.916
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 8.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 8.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 9.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 9.430
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 9.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 12.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 13.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 14.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 15.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 15.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 16.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 16.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 16.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 17.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 18.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 18.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 18.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 19.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 20.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 21.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 21.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 21.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 22.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 22.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 23.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 23.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 24.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 24.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 24.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 25.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 26.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 26.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 27.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 27.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 27.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 28.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 28.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 29.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 29.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 29.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 29.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 30.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 31.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 31.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 32.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 32.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 32.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 33.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 33.25
Bfactors> 106 vectors, 15060 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 : 0.006484
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= -0.005 for 653 C-alpha atoms.
Bfactors> = 0.974 +/- 2.97
Bfactors> = 112.379 +/- 48.36
Bfactors> Shiftng-fct= 111.405
Bfactors> Scaling-fct= 16.269
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402070958241820737 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=0
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=100
2402070958241820737.eigenfacs
2402070958241820737.atom
making animated gifs
11 models are in 2402070958241820737.7.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 2402070958241820737.7.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 2402070958241820737.7.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 2402070958241820737 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=0
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=100
2402070958241820737.eigenfacs
2402070958241820737.atom
making animated gifs
11 models are in 2402070958241820737.8.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 2402070958241820737.8.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 2402070958241820737.8.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 2402070958241820737 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=0
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=100
2402070958241820737.eigenfacs
2402070958241820737.atom
making animated gifs
11 models are in 2402070958241820737.9.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 2402070958241820737.9.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 2402070958241820737.9.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 2402070958241820737 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=0
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=100
2402070958241820737.eigenfacs
2402070958241820737.atom
making animated gifs
11 models are in 2402070958241820737.10.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 2402070958241820737.10.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 2402070958241820737.10.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 2402070958241820737 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=-20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=0
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=20
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=40
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=60
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=80
2402070958241820737.eigenfacs
2402070958241820737.atom
calculating perturbed structure for DQ=100
2402070958241820737.eigenfacs
2402070958241820737.atom
making animated gifs
11 models are in 2402070958241820737.11.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 2402070958241820737.11.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 2402070958241820737.11.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
2402070958241820737.10.pdb
2402070958241820737.11.pdb
2402070958241820737.7.pdb
2402070958241820737.8.pdb
2402070958241820737.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m21.372s
user 0m21.310s
sys 0m0.048s
../../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: 2402070958241820737.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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