*** ***
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 = 2401171143511457114.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 2401171143511457114.atom to be opened.
Openam> File opened: 2401171143511457114.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 = 587
First residue number = 599
Last residue number = 892
Number of atoms found = 4793
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= -28.169945 +/- 17.735110 From: -68.485000 To: 13.205000
= 31.639399 +/- 9.885507 From: 7.537000 To: 56.533000
= 116.246739 +/- 15.747146 From: 82.825000 To: 152.376000
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 1.8080 % Filled.
Pdbmat> 1869163 non-zero elements.
Pdbmat> 204520 atom-atom interactions.
Pdbmat> Number per atom= 85.34 +/- 23.07
Maximum number = 131
Minimum number = 8
Pdbmat> Matrix trace = 4.090400E+06
Pdbmat> Larger element = 516.847
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
587 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401171143511457114.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401171143511457114.atom to be opened.
Openam> file on opening on unit 11:
2401171143511457114.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4793 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 587 residues.
Blocpdb> 27 atoms in block 1
Block first atom: 1
Blocpdb> 24 atoms in block 2
Block first atom: 28
Blocpdb> 23 atoms in block 3
Block first atom: 52
Blocpdb> 23 atoms in block 4
Block first atom: 75
Blocpdb> 24 atoms in block 5
Block first atom: 98
Blocpdb> 24 atoms in block 6
Block first atom: 122
Blocpdb> 32 atoms in block 7
Block first atom: 146
Blocpdb> 22 atoms in block 8
Block first atom: 178
Blocpdb> 21 atoms in block 9
Block first atom: 200
Blocpdb> 29 atoms in block 10
Block first atom: 221
Blocpdb> 22 atoms in block 11
Block first atom: 250
Blocpdb> 26 atoms in block 12
Block first atom: 272
Blocpdb> 26 atoms in block 13
Block first atom: 298
Blocpdb> 24 atoms in block 14
Block first atom: 324
Blocpdb> 27 atoms in block 15
Block first atom: 348
Blocpdb> 26 atoms in block 16
Block first atom: 375
Blocpdb> 25 atoms in block 17
Block first atom: 401
Blocpdb> 26 atoms in block 18
Block first atom: 426
Blocpdb> 26 atoms in block 19
Block first atom: 452
Blocpdb> 31 atoms in block 20
Block first atom: 478
Blocpdb> 23 atoms in block 21
Block first atom: 509
Blocpdb> 27 atoms in block 22
Block first atom: 532
Blocpdb> 28 atoms in block 23
Block first atom: 559
Blocpdb> 27 atoms in block 24
Block first atom: 587
Blocpdb> 23 atoms in block 25
Block first atom: 614
Blocpdb> 20 atoms in block 26
Block first atom: 637
Blocpdb> 17 atoms in block 27
Block first atom: 657
Blocpdb> 26 atoms in block 28
Block first atom: 674
Blocpdb> 21 atoms in block 29
Block first atom: 700
Blocpdb> 26 atoms in block 30
Block first atom: 721
Blocpdb> 23 atoms in block 31
Block first atom: 747
Blocpdb> 25 atoms in block 32
Block first atom: 770
Blocpdb> 32 atoms in block 33
Block first atom: 795
Blocpdb> 18 atoms in block 34
Block first atom: 827
Blocpdb> 20 atoms in block 35
Block first atom: 845
Blocpdb> 28 atoms in block 36
Block first atom: 865
Blocpdb> 22 atoms in block 37
Block first atom: 893
Blocpdb> 33 atoms in block 38
Block first atom: 915
Blocpdb> 27 atoms in block 39
Block first atom: 948
Blocpdb> 32 atoms in block 40
Block first atom: 975
Blocpdb> 21 atoms in block 41
Block first atom: 1007
Blocpdb> 22 atoms in block 42
Block first atom: 1028
Blocpdb> 22 atoms in block 43
Block first atom: 1050
Blocpdb> 26 atoms in block 44
Block first atom: 1072
Blocpdb> 21 atoms in block 45
Block first atom: 1098
Blocpdb> 28 atoms in block 46
Block first atom: 1119
Blocpdb> 20 atoms in block 47
Block first atom: 1147
Blocpdb> 33 atoms in block 48
Block first atom: 1167
Blocpdb> 23 atoms in block 49
Block first atom: 1200
Blocpdb> 20 atoms in block 50
Block first atom: 1223
Blocpdb> 27 atoms in block 51
Block first atom: 1243
Blocpdb> 19 atoms in block 52
Block first atom: 1270
Blocpdb> 23 atoms in block 53
Block first atom: 1289
Blocpdb> 25 atoms in block 54
Block first atom: 1312
Blocpdb> 30 atoms in block 55
Block first atom: 1337
Blocpdb> 21 atoms in block 56
Block first atom: 1367
Blocpdb> 28 atoms in block 57
Block first atom: 1388
Blocpdb> 26 atoms in block 58
Block first atom: 1416
Blocpdb> 23 atoms in block 59
Block first atom: 1442
Blocpdb> 26 atoms in block 60
Block first atom: 1465
Blocpdb> 23 atoms in block 61
Block first atom: 1491
Blocpdb> 22 atoms in block 62
Block first atom: 1514
Blocpdb> 23 atoms in block 63
Block first atom: 1536
Blocpdb> 27 atoms in block 64
Block first atom: 1559
Blocpdb> 24 atoms in block 65
Block first atom: 1586
Blocpdb> 29 atoms in block 66
Block first atom: 1610
Blocpdb> 21 atoms in block 67
Block first atom: 1639
Blocpdb> 24 atoms in block 68
Block first atom: 1660
Blocpdb> 25 atoms in block 69
Block first atom: 1684
Blocpdb> 25 atoms in block 70
Block first atom: 1709
Blocpdb> 30 atoms in block 71
Block first atom: 1734
Blocpdb> 26 atoms in block 72
Block first atom: 1764
Blocpdb> 22 atoms in block 73
Block first atom: 1790
Blocpdb> 30 atoms in block 74
Block first atom: 1812
Blocpdb> 17 atoms in block 75
Block first atom: 1842
Blocpdb> 22 atoms in block 76
Block first atom: 1859
Blocpdb> 22 atoms in block 77
Block first atom: 1881
Blocpdb> 16 atoms in block 78
Block first atom: 1903
Blocpdb> 22 atoms in block 79
Block first atom: 1919
Blocpdb> 23 atoms in block 80
Block first atom: 1941
Blocpdb> 20 atoms in block 81
Block first atom: 1964
Blocpdb> 21 atoms in block 82
Block first atom: 1984
Blocpdb> 21 atoms in block 83
Block first atom: 2005
Blocpdb> 22 atoms in block 84
Block first atom: 2026
Blocpdb> 26 atoms in block 85
Block first atom: 2048
Blocpdb> 22 atoms in block 86
Block first atom: 2074
Blocpdb> 28 atoms in block 87
Block first atom: 2096
Blocpdb> 23 atoms in block 88
Block first atom: 2124
Blocpdb> 30 atoms in block 89
Block first atom: 2147
Blocpdb> 26 atoms in block 90
Block first atom: 2177
Blocpdb> 23 atoms in block 91
Block first atom: 2203
Blocpdb> 25 atoms in block 92
Block first atom: 2226
Blocpdb> 26 atoms in block 93
Block first atom: 2251
Blocpdb> 24 atoms in block 94
Block first atom: 2277
Blocpdb> 24 atoms in block 95
Block first atom: 2301
Blocpdb> 24 atoms in block 96
Block first atom: 2325
Blocpdb> 29 atoms in block 97
Block first atom: 2349
Blocpdb> 24 atoms in block 98
Block first atom: 2378
Blocpdb> 26 atoms in block 99
Block first atom: 2402
Blocpdb> 23 atoms in block 100
Block first atom: 2428
Blocpdb> 24 atoms in block 101
Block first atom: 2451
Blocpdb> 23 atoms in block 102
Block first atom: 2475
Blocpdb> 24 atoms in block 103
Block first atom: 2498
Blocpdb> 28 atoms in block 104
Block first atom: 2522
Blocpdb> 29 atoms in block 105
Block first atom: 2550
Blocpdb> 21 atoms in block 106
Block first atom: 2579
Blocpdb> 24 atoms in block 107
Block first atom: 2600
Blocpdb> 26 atoms in block 108
Block first atom: 2624
Blocpdb> 25 atoms in block 109
Block first atom: 2650
Blocpdb> 23 atoms in block 110
Block first atom: 2675
Blocpdb> 25 atoms in block 111
Block first atom: 2698
Blocpdb> 26 atoms in block 112
Block first atom: 2723
Blocpdb> 26 atoms in block 113
Block first atom: 2749
Blocpdb> 23 atoms in block 114
Block first atom: 2775
Blocpdb> 27 atoms in block 115
Block first atom: 2798
Blocpdb> 28 atoms in block 116
Block first atom: 2825
Blocpdb> 25 atoms in block 117
Block first atom: 2853
Blocpdb> 30 atoms in block 118
Block first atom: 2878
Blocpdb> 24 atoms in block 119
Block first atom: 2908
Blocpdb> 27 atoms in block 120
Block first atom: 2932
Blocpdb> 31 atoms in block 121
Block first atom: 2959
Blocpdb> 24 atoms in block 122
Block first atom: 2990
Blocpdb> 23 atoms in block 123
Block first atom: 3014
Blocpdb> 20 atoms in block 124
Block first atom: 3037
Blocpdb> 15 atoms in block 125
Block first atom: 3057
Blocpdb> 28 atoms in block 126
Block first atom: 3072
Blocpdb> 19 atoms in block 127
Block first atom: 3100
Blocpdb> 28 atoms in block 128
Block first atom: 3119
Blocpdb> 24 atoms in block 129
Block first atom: 3147
Blocpdb> 27 atoms in block 130
Block first atom: 3171
Blocpdb> 29 atoms in block 131
Block first atom: 3198
Blocpdb> 19 atoms in block 132
Block first atom: 3227
Blocpdb> 22 atoms in block 133
Block first atom: 3246
Blocpdb> 24 atoms in block 134
Block first atom: 3268
Blocpdb> 23 atoms in block 135
Block first atom: 3292
Blocpdb> 36 atoms in block 136
Block first atom: 3315
Blocpdb> 30 atoms in block 137
Block first atom: 3351
Blocpdb> 27 atoms in block 138
Block first atom: 3381
Blocpdb> 19 atoms in block 139
Block first atom: 3408
Blocpdb> 23 atoms in block 140
Block first atom: 3427
Blocpdb> 25 atoms in block 141
Block first atom: 3450
Blocpdb> 24 atoms in block 142
Block first atom: 3475
Blocpdb> 23 atoms in block 143
Block first atom: 3499
Blocpdb> 23 atoms in block 144
Block first atom: 3522
Blocpdb> 26 atoms in block 145
Block first atom: 3545
Blocpdb> 27 atoms in block 146
Block first atom: 3571
Blocpdb> 26 atoms in block 147
Block first atom: 3598
Blocpdb> 22 atoms in block 148
Block first atom: 3624
Blocpdb> 20 atoms in block 149
Block first atom: 3646
Blocpdb> 22 atoms in block 150
Block first atom: 3666
Blocpdb> 24 atoms in block 151
Block first atom: 3688
Blocpdb> 27 atoms in block 152
Block first atom: 3712
Blocpdb> 26 atoms in block 153
Block first atom: 3739
Blocpdb> 27 atoms in block 154
Block first atom: 3765
Blocpdb> 25 atoms in block 155
Block first atom: 3792
Blocpdb> 25 atoms in block 156
Block first atom: 3817
Blocpdb> 23 atoms in block 157
Block first atom: 3842
Blocpdb> 27 atoms in block 158
Block first atom: 3865
Blocpdb> 21 atoms in block 159
Block first atom: 3892
Blocpdb> 24 atoms in block 160
Block first atom: 3913
Blocpdb> 24 atoms in block 161
Block first atom: 3937
Blocpdb> 28 atoms in block 162
Block first atom: 3961
Blocpdb> 27 atoms in block 163
Block first atom: 3989
Blocpdb> 25 atoms in block 164
Block first atom: 4016
Blocpdb> 18 atoms in block 165
Block first atom: 4041
Blocpdb> 24 atoms in block 166
Block first atom: 4059
Blocpdb> 26 atoms in block 167
Block first atom: 4083
Blocpdb> 25 atoms in block 168
Block first atom: 4109
Blocpdb> 33 atoms in block 169
Block first atom: 4134
Blocpdb> 20 atoms in block 170
Block first atom: 4167
Blocpdb> 25 atoms in block 171
Block first atom: 4187
Blocpdb> 28 atoms in block 172
Block first atom: 4212
Blocpdb> 19 atoms in block 173
Block first atom: 4240
Blocpdb> 24 atoms in block 174
Block first atom: 4259
Blocpdb> 17 atoms in block 175
Block first atom: 4283
Blocpdb> 15 atoms in block 176
Block first atom: 4300
Blocpdb> 22 atoms in block 177
Block first atom: 4315
Blocpdb> 27 atoms in block 178
Block first atom: 4337
Blocpdb> 20 atoms in block 179
Block first atom: 4364
Blocpdb> 21 atoms in block 180
Block first atom: 4384
Blocpdb> 21 atoms in block 181
Block first atom: 4405
Blocpdb> 23 atoms in block 182
Block first atom: 4426
Blocpdb> 24 atoms in block 183
Block first atom: 4449
Blocpdb> 27 atoms in block 184
Block first atom: 4473
Blocpdb> 23 atoms in block 185
Block first atom: 4500
Blocpdb> 24 atoms in block 186
Block first atom: 4523
Blocpdb> 31 atoms in block 187
Block first atom: 4547
Blocpdb> 25 atoms in block 188
Block first atom: 4578
Blocpdb> 24 atoms in block 189
Block first atom: 4603
Blocpdb> 21 atoms in block 190
Block first atom: 4627
Blocpdb> 29 atoms in block 191
Block first atom: 4648
Blocpdb> 26 atoms in block 192
Block first atom: 4677
Blocpdb> 22 atoms in block 193
Block first atom: 4703
Blocpdb> 28 atoms in block 194
Block first atom: 4725
Blocpdb> 28 atoms in block 195
Block first atom: 4753
Blocpdb> 13 atoms in block 196
Block first atom: 4780
Blocpdb> 196 blocks.
Blocpdb> At most, 36 atoms in each of them.
Blocpdb> At least, 13 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> 1869359 matrix lines read.
Prepmat> Matrix order = 14379
Prepmat> Matrix trace = 4090400.0000
Prepmat> Last element read: 14379 14379 37.9843
Prepmat> 19307 lines saved.
Prepmat> 17240 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: 4793
RTB> Total mass = 4793.0000
RTB> Number of atoms found in matrix: 4793
RTB> Number of blocks = 196
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 265097.4798
RTB> 71436 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 = 1176
Diagstd> Nb of non-zero elements: 71436
Diagstd> Projected matrix trace = 265097.4798
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1176 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 265097.4798
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 0.9092798 1.3953430 1.8761720 3.3460710
3.8843659 5.7279312 6.4427972 6.6947719 7.4011538
8.0424364 8.4225273 9.3180405 9.3496655 10.6665235
11.5621390 11.7888905 11.9771510 13.0688341 13.4613222
13.5996823 13.9732007 14.7238261 15.2831928 15.6339712
16.4806789 16.8508271 17.0486720 18.1430308 18.3892942
19.2967415 19.9018686 20.2110434 20.9216087 21.6913536
22.1759819 23.4608139 24.0673105 24.5767001 24.9900416
25.7025451 26.0033785 26.6944693 27.2332454 27.6993681
28.1084296 28.6508700 29.1791108 29.4890653 30.0027927
30.4606138 30.6479149 30.8995986 31.4747886 31.7309420
32.5791416 34.1177062 34.4233441 34.9240298 35.5565346
35.9799555 36.3856830 36.9950598 37.0764207 38.0390127
38.3012478 38.9073005 39.1785916 39.9724912 40.5595029
41.0923885 41.4846676 41.6734461 42.3509548 42.7807576
43.2781817 43.7296922 43.9710600 44.4607579 45.4134508
46.2230075 46.5006886 47.2222603 47.5739353 48.5088829
48.7548473 49.2843298 49.7221396 49.7527189 51.0954559
51.1358967 51.6900871 51.8862043 52.1468771 52.8537162
53.2096251 53.5628135 53.8207880 54.1284625 54.9101124
55.5440551
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034315 0.0034327 0.0034331 0.0034338 0.0034343
0.0034344 103.5485547 128.2731507 148.7413114 198.6382403
214.0204877 259.8927580 275.6338248 280.9720848 295.4234693
307.9563031 315.1494076 331.4801891 332.0422259 354.6555239
369.2447868 372.8479386 375.8132105 392.5669218 398.4181734
400.4604783 405.9225970 416.6828443 424.5240774 429.3682563
440.8418626 445.7649230 448.3741419 462.5409623 465.6695176
477.0207484 484.4424670 488.1908633 496.6984654 505.7531626
511.3717233 525.9770772 532.7323386 538.3405145 542.8486596
550.5329855 553.7454480 561.0556316 566.6892579 571.5183923
575.7229894 581.2516348 586.5854782 589.6927440 594.8070683
599.3280515 601.1678499 603.6312280 609.2235616 611.6975812
619.8193054 634.2860982 637.1208373 641.7375554 647.5226938
651.3667583 655.0290274 660.4913691 661.2172593 669.7456452
672.0502422 677.3464049 679.7037876 686.5558751 691.5786731
696.1069552 699.4216759 701.0112498 706.6866440 710.2635310
714.3808156 718.0976250 720.0766825 724.0752635 731.7917890
738.2855699 740.4998456 746.2230598 748.9965528 756.3205785
758.2356164 762.3417555 765.7203416 765.9557662 776.2228436
776.5299634 780.7264851 782.2061585 784.1685720 789.4652972
792.1189072 794.7434746 796.6550370 798.9288901 804.6767376
809.3084441
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4793
Rtb_to_modes> Number of blocs = 196
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: 9.9857E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9929E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9953E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9991E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.9093
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.395
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.876
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.346
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.884
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.728
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.443
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.695
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.401
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.042
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 8.423
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 9.318
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.350
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 10.67
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 11.56
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 11.98
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 13.07
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 13.46
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 13.60
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 13.97
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.72
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 15.28
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 15.63
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 16.48
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 16.85
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 17.05
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 18.14
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 18.39
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 19.30
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 19.90
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 20.21
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 20.92
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 21.69
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 22.18
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 23.46
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 24.07
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 24.58
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 24.99
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 25.70
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 26.00
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 26.69
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 27.23
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 27.70
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 28.11
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 28.65
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 29.18
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 29.49
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 30.00
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 30.46
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 30.65
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 30.90
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 31.47
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 31.73
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 32.58
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 34.12
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 34.42
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 34.92
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 35.56
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 35.98
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 36.39
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 37.00
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 37.08
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 38.04
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 38.30
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 38.91
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 39.18
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 39.97
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 40.56
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 41.09
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 41.48
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 41.67
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 42.35
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 42.78
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 43.28
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 43.73
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 43.97
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 44.46
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 45.41
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 46.22
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 46.50
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 47.22
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 47.57
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 48.51
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 48.75
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 49.28
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 49.72
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 49.75
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 51.10
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 51.14
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 51.69
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 51.89
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 52.15
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 52.85
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 53.21
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 53.56
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 53.82
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 54.13
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 54.91
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 55.54
Rtb_to_modes> 106 vectors, with 1176 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 0.99999
1.00000 1.00001 1.00000 0.99998 1.00002
1.00002 0.99999 0.99997 1.00001 1.00002
0.99997 1.00001 0.99999 1.00001 1.00001
1.00004 1.00001 0.99999 0.99999 1.00001
1.00000 1.00000 1.00003 1.00001 1.00000
1.00001 1.00001 1.00002 1.00000 1.00000
1.00000 0.99998 0.99998 1.00005 1.00000
0.99998 0.99999 0.99999 1.00001 1.00001
0.99999 1.00002 0.99998 0.99997 0.99998
0.99999 0.99998 0.99999 1.00000 0.99999
1.00000 0.99998 1.00000 0.99999 1.00001
1.00001 1.00001 1.00002 1.00001 0.99996
1.00001 1.00000 1.00000 1.00000 1.00000
1.00001 1.00001 1.00003 0.99996 1.00000
1.00002 0.99998 1.00002 1.00000 1.00001
0.99999 0.99998 1.00000 1.00000 0.99999
0.99998 1.00000 1.00000 1.00001 1.00002
1.00002 1.00001 1.00000 1.00002 0.99998
0.99996 1.00002 0.99998 0.99999 0.99998
1.00000 1.00000 0.99998 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 86274 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 0.99999
1.00000 1.00001 1.00000 0.99998 1.00002
1.00002 0.99999 0.99997 1.00001 1.00002
0.99997 1.00001 0.99999 1.00001 1.00001
1.00004 1.00001 0.99999 0.99999 1.00001
1.00000 1.00000 1.00003 1.00001 1.00000
1.00001 1.00001 1.00002 1.00000 1.00000
1.00000 0.99998 0.99998 1.00005 1.00000
0.99998 0.99999 0.99999 1.00001 1.00001
0.99999 1.00002 0.99998 0.99997 0.99998
0.99999 0.99998 0.99999 1.00000 0.99999
1.00000 0.99998 1.00000 0.99999 1.00001
1.00001 1.00001 1.00002 1.00001 0.99996
1.00001 1.00000 1.00000 1.00000 1.00000
1.00001 1.00001 1.00003 0.99996 1.00000
1.00002 0.99998 1.00002 1.00000 1.00001
0.99999 0.99998 1.00000 1.00000 0.99999
0.99998 1.00000 1.00000 1.00001 1.00002
1.00002 1.00001 1.00000 1.00002 0.99998
0.99996 1.00002 0.99998 0.99999 0.99998
1.00000 1.00000 0.99998 1.00000 0.99999
1.00000
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> 2401171143511457114.eigenfacs
Openam> file on opening on unit 10:
2401171143511457114.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401171143511457114.atom
Openam> file on opening on unit 11:
2401171143511457114.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 = 587
First residue number = 599
Last residue number = 892
Number of atoms found = 4793
Mean number per residue = 8.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9857E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9929E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9953E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9991E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9093
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.395
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.884
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.401
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 8.423
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.350
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 10.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 11.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 13.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 13.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 13.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 13.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 15.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 15.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 16.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 16.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 17.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 18.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 18.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 19.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 19.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 20.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 20.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 21.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 22.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 23.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 24.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 24.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 24.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 25.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 26.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 26.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 27.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 27.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 28.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 28.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 29.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 29.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 30.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 30.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 30.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 30.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 31.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 31.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 32.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 34.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 34.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 34.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 35.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 35.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 36.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 37.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 37.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 38.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 38.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 38.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 39.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 39.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 40.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 41.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 41.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 41.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 42.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 42.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 43.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 43.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 43.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 44.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 45.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 46.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 46.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 47.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 47.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 48.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 48.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 49.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 49.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 49.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 51.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 51.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 51.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 51.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 52.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 52.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 53.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 53.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 53.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 54.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 54.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 55.54
Bfactors> 106 vectors, 14379 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 : 0.909300
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= 0.632 for 587 C-alpha atoms.
Bfactors> = 0.022 +/- 0.02
Bfactors> = 73.453 +/- 10.05
Bfactors> Shiftng-fct= 73.432
Bfactors> Scaling-fct= 491.519
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401171143511457114 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=0
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=100
2401171143511457114.eigenfacs
2401171143511457114.atom
making animated gifs
11 models are in 2401171143511457114.7.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 2401171143511457114.7.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 2401171143511457114.7.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 2401171143511457114 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=0
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=100
2401171143511457114.eigenfacs
2401171143511457114.atom
making animated gifs
11 models are in 2401171143511457114.8.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 2401171143511457114.8.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 2401171143511457114.8.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 2401171143511457114 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=0
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=100
2401171143511457114.eigenfacs
2401171143511457114.atom
making animated gifs
11 models are in 2401171143511457114.9.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 2401171143511457114.9.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 2401171143511457114.9.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 2401171143511457114 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=0
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=100
2401171143511457114.eigenfacs
2401171143511457114.atom
making animated gifs
11 models are in 2401171143511457114.10.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 2401171143511457114.10.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 2401171143511457114.10.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 2401171143511457114 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=-20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=0
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=20
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=40
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=60
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=80
2401171143511457114.eigenfacs
2401171143511457114.atom
calculating perturbed structure for DQ=100
2401171143511457114.eigenfacs
2401171143511457114.atom
making animated gifs
11 models are in 2401171143511457114.11.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 2401171143511457114.11.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 2401171143511457114.11.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
2401171143511457114.10.pdb
2401171143511457114.11.pdb
2401171143511457114.7.pdb
2401171143511457114.8.pdb
2401171143511457114.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m29.628s
user 0m29.551s
sys 0m0.076s
../../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: 2401171143511457114.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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