*** 1ERR-ESR1 ***
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 = 2403052245441757920.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 2403052245441757920.atom to be opened.
Openam> File opened: 2403052245441757920.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 = 446
First residue number = 307
Last residue number = 551
Number of atoms found = 3540
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 49.996963 +/- 14.493678 From: 20.868000 To: 88.121000
= 37.274603 +/- 12.177812 From: 7.669000 To: 67.294000
= 68.511492 +/- 10.878222 From: 43.903000 To: 94.777000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.3846 % Filled.
Pdbmat> 1344879 non-zero elements.
Pdbmat> 147096 atom-atom interactions.
Pdbmat> Number per atom= 83.11 +/- 21.76
Maximum number = 133
Minimum number = 16
Pdbmat> Matrix trace = 2.941920E+06
Pdbmat> Larger element = 544.467
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
446 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 = 2403052245441757920.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 2403052245441757920.atom to be opened.
Openam> file on opening on unit 11:
2403052245441757920.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3540 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> 446 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 20 atoms in block 2
Block first atom: 20
Blocpdb> 25 atoms in block 3
Block first atom: 40
Blocpdb> 18 atoms in block 4
Block first atom: 65
Blocpdb> 24 atoms in block 5
Block first atom: 83
Blocpdb> 21 atoms in block 6
Block first atom: 107
Blocpdb> 23 atoms in block 7
Block first atom: 128
Blocpdb> 27 atoms in block 8
Block first atom: 151
Blocpdb> 17 atoms in block 9
Block first atom: 178
Blocpdb> 25 atoms in block 10
Block first atom: 195
Blocpdb> 26 atoms in block 11
Block first atom: 220
Blocpdb> 19 atoms in block 12
Block first atom: 246
Blocpdb> 20 atoms in block 13
Block first atom: 265
Blocpdb> 23 atoms in block 14
Block first atom: 285
Blocpdb> 21 atoms in block 15
Block first atom: 308
Blocpdb> 28 atoms in block 16
Block first atom: 329
Blocpdb> 25 atoms in block 17
Block first atom: 357
Blocpdb> 30 atoms in block 18
Block first atom: 382
Blocpdb> 25 atoms in block 19
Block first atom: 412
Blocpdb> 18 atoms in block 20
Block first atom: 437
Blocpdb> 26 atoms in block 21
Block first atom: 455
Blocpdb> 23 atoms in block 22
Block first atom: 481
Blocpdb> 32 atoms in block 23
Block first atom: 504
Blocpdb> 30 atoms in block 24
Block first atom: 536
Blocpdb> 17 atoms in block 25
Block first atom: 566
Blocpdb> 27 atoms in block 26
Block first atom: 583
Blocpdb> 25 atoms in block 27
Block first atom: 610
Blocpdb> 20 atoms in block 28
Block first atom: 635
Blocpdb> 29 atoms in block 29
Block first atom: 655
Blocpdb> 25 atoms in block 30
Block first atom: 684
Blocpdb> 23 atoms in block 31
Block first atom: 709
Blocpdb> 21 atoms in block 32
Block first atom: 732
Blocpdb> 24 atoms in block 33
Block first atom: 753
Blocpdb> 23 atoms in block 34
Block first atom: 777
Blocpdb> 24 atoms in block 35
Block first atom: 800
Blocpdb> 28 atoms in block 36
Block first atom: 824
Blocpdb> 15 atoms in block 37
Block first atom: 852
Blocpdb> 16 atoms in block 38
Block first atom: 867
Blocpdb> 24 atoms in block 39
Block first atom: 883
Blocpdb> 27 atoms in block 40
Block first atom: 907
Blocpdb> 24 atoms in block 41
Block first atom: 934
Blocpdb> 18 atoms in block 42
Block first atom: 958
Blocpdb> 28 atoms in block 43
Block first atom: 976
Blocpdb> 27 atoms in block 44
Block first atom: 1004
Blocpdb> 25 atoms in block 45
Block first atom: 1031
Blocpdb> 22 atoms in block 46
Block first atom: 1056
Blocpdb> 24 atoms in block 47
Block first atom: 1078
Blocpdb> 23 atoms in block 48
Block first atom: 1102
Blocpdb> 24 atoms in block 49
Block first atom: 1125
Blocpdb> 22 atoms in block 50
Block first atom: 1149
Blocpdb> 23 atoms in block 51
Block first atom: 1171
Blocpdb> 15 atoms in block 52
Block first atom: 1194
Blocpdb> 34 atoms in block 53
Block first atom: 1209
Blocpdb> 25 atoms in block 54
Block first atom: 1243
Blocpdb> 25 atoms in block 55
Block first atom: 1268
Blocpdb> 23 atoms in block 56
Block first atom: 1293
Blocpdb> 23 atoms in block 57
Block first atom: 1316
Blocpdb> 26 atoms in block 58
Block first atom: 1339
Blocpdb> 16 atoms in block 59
Block first atom: 1365
Blocpdb> 19 atoms in block 60
Block first atom: 1381
Blocpdb> 26 atoms in block 61
Block first atom: 1400
Blocpdb> 33 atoms in block 62
Block first atom: 1426
Blocpdb> 24 atoms in block 63
Block first atom: 1459
Blocpdb> 25 atoms in block 64
Block first atom: 1483
Blocpdb> 24 atoms in block 65
Block first atom: 1508
Blocpdb> 24 atoms in block 66
Block first atom: 1532
Blocpdb> 29 atoms in block 67
Block first atom: 1556
Blocpdb> 23 atoms in block 68
Block first atom: 1585
Blocpdb> 21 atoms in block 69
Block first atom: 1608
Blocpdb> 30 atoms in block 70
Block first atom: 1629
Blocpdb> 14 atoms in block 71
Block first atom: 1659
Blocpdb> 27 atoms in block 72
Block first atom: 1673
Blocpdb> 24 atoms in block 73
Block first atom: 1700
Blocpdb> 21 atoms in block 74
Block first atom: 1724
Blocpdb> 21 atoms in block 75
Block first atom: 1745
Blocpdb> 10 atoms in block 76
Block first atom: 1766
Blocpdb> 21 atoms in block 77
Block first atom: 1776
Blocpdb> 21 atoms in block 78
Block first atom: 1797
Blocpdb> 22 atoms in block 79
Block first atom: 1818
Blocpdb> 21 atoms in block 80
Block first atom: 1840
Blocpdb> 21 atoms in block 81
Block first atom: 1861
Blocpdb> 22 atoms in block 82
Block first atom: 1882
Blocpdb> 22 atoms in block 83
Block first atom: 1904
Blocpdb> 26 atoms in block 84
Block first atom: 1926
Blocpdb> 21 atoms in block 85
Block first atom: 1952
Blocpdb> 19 atoms in block 86
Block first atom: 1973
Blocpdb> 20 atoms in block 87
Block first atom: 1992
Blocpdb> 23 atoms in block 88
Block first atom: 2012
Blocpdb> 21 atoms in block 89
Block first atom: 2035
Blocpdb> 28 atoms in block 90
Block first atom: 2056
Blocpdb> 25 atoms in block 91
Block first atom: 2084
Blocpdb> 30 atoms in block 92
Block first atom: 2109
Blocpdb> 25 atoms in block 93
Block first atom: 2139
Blocpdb> 18 atoms in block 94
Block first atom: 2164
Blocpdb> 26 atoms in block 95
Block first atom: 2182
Blocpdb> 23 atoms in block 96
Block first atom: 2208
Blocpdb> 27 atoms in block 97
Block first atom: 2231
Blocpdb> 20 atoms in block 98
Block first atom: 2258
Blocpdb> 17 atoms in block 99
Block first atom: 2278
Blocpdb> 27 atoms in block 100
Block first atom: 2295
Blocpdb> 25 atoms in block 101
Block first atom: 2322
Blocpdb> 20 atoms in block 102
Block first atom: 2347
Blocpdb> 29 atoms in block 103
Block first atom: 2367
Blocpdb> 25 atoms in block 104
Block first atom: 2396
Blocpdb> 23 atoms in block 105
Block first atom: 2421
Blocpdb> 21 atoms in block 106
Block first atom: 2444
Blocpdb> 24 atoms in block 107
Block first atom: 2465
Blocpdb> 23 atoms in block 108
Block first atom: 2489
Blocpdb> 24 atoms in block 109
Block first atom: 2512
Blocpdb> 28 atoms in block 110
Block first atom: 2536
Blocpdb> 15 atoms in block 111
Block first atom: 2564
Blocpdb> 16 atoms in block 112
Block first atom: 2579
Blocpdb> 20 atoms in block 113
Block first atom: 2595
Blocpdb> 27 atoms in block 114
Block first atom: 2615
Blocpdb> 24 atoms in block 115
Block first atom: 2642
Blocpdb> 18 atoms in block 116
Block first atom: 2666
Blocpdb> 28 atoms in block 117
Block first atom: 2684
Blocpdb> 27 atoms in block 118
Block first atom: 2712
Blocpdb> 25 atoms in block 119
Block first atom: 2739
Blocpdb> 22 atoms in block 120
Block first atom: 2764
Blocpdb> 24 atoms in block 121
Block first atom: 2786
Blocpdb> 23 atoms in block 122
Block first atom: 2810
Blocpdb> 24 atoms in block 123
Block first atom: 2833
Blocpdb> 36 atoms in block 124
Block first atom: 2857
Blocpdb> 27 atoms in block 125
Block first atom: 2893
Blocpdb> 15 atoms in block 126
Block first atom: 2920
Blocpdb> 23 atoms in block 127
Block first atom: 2935
Blocpdb> 26 atoms in block 128
Block first atom: 2958
Blocpdb> 23 atoms in block 129
Block first atom: 2984
Blocpdb> 24 atoms in block 130
Block first atom: 3007
Blocpdb> 23 atoms in block 131
Block first atom: 3031
Blocpdb> 26 atoms in block 132
Block first atom: 3054
Blocpdb> 22 atoms in block 133
Block first atom: 3080
Blocpdb> 17 atoms in block 134
Block first atom: 3102
Blocpdb> 24 atoms in block 135
Block first atom: 3119
Blocpdb> 38 atoms in block 136
Block first atom: 3143
Blocpdb> 28 atoms in block 137
Block first atom: 3181
Blocpdb> 22 atoms in block 138
Block first atom: 3209
Blocpdb> 24 atoms in block 139
Block first atom: 3231
Blocpdb> 24 atoms in block 140
Block first atom: 3255
Blocpdb> 29 atoms in block 141
Block first atom: 3279
Blocpdb> 22 atoms in block 142
Block first atom: 3308
Blocpdb> 21 atoms in block 143
Block first atom: 3330
Blocpdb> 27 atoms in block 144
Block first atom: 3351
Blocpdb> 33 atoms in block 145
Block first atom: 3378
Blocpdb> 5 atoms in block 146
Block first atom: 3411
Blocpdb> 28 atoms in block 147
Block first atom: 3416
Blocpdb> 24 atoms in block 148
Block first atom: 3444
Blocpdb> 25 atoms in block 149
Block first atom: 3468
Blocpdb> 23 atoms in block 150
Block first atom: 3493
Blocpdb> 20 atoms in block 151
Block first atom: 3516
Blocpdb> 5 atoms in block 152
Block first atom: 3535
Blocpdb> 152 blocks.
Blocpdb> At most, 38 atoms in each of them.
Blocpdb> At least, 5 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> 1345031 matrix lines read.
Prepmat> Matrix order = 10620
Prepmat> Matrix trace = 2941920.0000
Prepmat> Last element read: 10620 10620 11.6831
Prepmat> 11629 lines saved.
Prepmat> 10042 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: 3540
RTB> Total mass = 3540.0000
RTB> Number of atoms found in matrix: 3540
RTB> Number of blocks = 152
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 193796.4214
RTB> 54816 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 = 912
Diagstd> Nb of non-zero elements: 54816
Diagstd> Projected matrix trace = 193796.4214
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 912 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 193796.4214
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 2.1458145 2.6287450 2.8994266 5.4928031
5.6921742 6.3160780 6.4749543 7.7187226 8.5850483
9.1508199 9.9530018 10.2334728 11.0911163 11.2226264
11.7021527 12.1731428 13.5709503 14.3675907 15.1218371
15.1757377 15.5974718 16.7876201 17.0758938 17.8720116
18.0773577 19.0566456 19.3152675 20.4416088 20.6510964
21.1782295 21.4463004 22.4998908 23.3475791 23.8254207
24.1339859 24.7545211 26.1122294 26.6880015 27.2568500
27.5948923 27.9813385 28.4828118 28.5864455 29.5198237
29.8755145 30.5719752 31.2386119 32.1265705 32.3087007
32.6520615 33.4546361 34.1748678 34.5938355 35.2356650
35.8410256 36.2775956 36.7091291 37.9850993 38.7629714
39.1823111 39.8532196 40.3204715 41.0562034 41.6137655
41.9038166 42.4567649 42.6921431 43.1597432 43.7929436
44.1322435 44.3277717 45.5931106 46.2147478 46.3265012
46.8995895 47.6112294 48.0730964 48.4063473 48.4808912
49.2094989 49.6407760 50.0178413 51.1761691 51.8650690
52.5438158 53.3434642 53.4324422 53.9923503 54.6266772
54.7833565 55.5141266 55.9018544 56.3571062 56.8528595
57.9901119 58.6965999 59.1932258 59.6927750 60.0024854
60.8612468
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034306 0.0034323 0.0034328 0.0034332 0.0034333
0.0034341 159.0711290 176.0635715 184.9061424 254.5026415
259.0802872 272.9097313 276.3208368 301.6949191 318.1754394
328.4923689 342.5881382 347.3815904 361.6453712 363.7831121
371.4737761 378.8756018 400.0372284 411.6112673 422.2771273
423.0290447 428.8667582 444.9281118 448.7319605 459.0732621
461.7030627 474.0438416 477.2496781 490.9675819 493.4769101
499.7353896 502.8882322 515.0928078 524.7062145 530.0484506
533.4697619 540.2845453 554.9032347 560.9876581 566.9347952
570.4395541 574.4199607 579.5443959 580.5977639 590.0002018
593.5440785 600.4225980 606.9335489 615.4991588 617.2413701
620.5125698 628.0922512 634.8172249 638.6966502 644.5943825
650.1079762 654.0553888 657.9339861 669.2708556 676.0889073
679.7360513 685.5308229 689.5378039 695.8003990 700.5091106
702.9461723 707.5688895 709.5275424 713.4026302 718.6167717
721.3952582 722.9915651 733.2378775 738.2196040 739.1116218
743.6692104 749.2900720 752.9156569 755.5208194 756.1023319
761.7627846 765.0935861 767.9938682 776.8356835 782.0468308
787.1474350 793.1144970 793.7756870 797.9237585 802.5972596
803.7474327 809.0903771 811.9109293 815.2102335 818.7879389
826.9366749 831.9586713 835.4708163 838.9888029 841.1624941
847.1605093
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3540
Rtb_to_modes> Number of blocs = 152
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: 9.9805E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9906E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9931E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9953E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.146
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.629
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.899
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.493
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.692
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.316
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.475
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.719
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 8.585
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.151
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.953
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.23
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.09
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 11.22
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 11.70
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 12.17
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.57
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 14.37
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 15.12
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 15.18
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 15.60
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 16.79
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 17.08
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 17.87
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 18.08
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 19.06
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 19.32
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 20.44
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 20.65
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 21.18
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 21.45
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.50
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.35
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 23.83
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.13
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 24.75
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 26.11
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.69
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 27.26
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 27.59
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 27.98
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 28.48
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 28.59
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 29.52
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 29.88
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 30.57
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 31.24
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 32.13
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 32.31
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 32.65
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 33.45
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 34.17
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 34.59
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 35.24
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 35.84
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 36.28
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 36.71
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 37.99
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 38.76
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 39.18
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 39.85
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 40.32
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 41.06
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 41.61
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 41.90
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 42.46
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 42.69
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 43.16
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 43.79
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 44.13
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 44.33
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 45.59
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 46.21
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 46.33
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 46.90
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 47.61
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 48.07
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 48.41
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 48.48
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 49.21
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 49.64
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 50.02
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 51.18
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 51.87
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 52.54
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 53.34
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 53.43
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 53.99
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 54.63
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 54.78
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 55.51
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 55.90
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 56.36
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 56.85
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 57.99
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 58.70
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 59.19
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 59.69
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 60.00
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 60.86
Rtb_to_modes> 106 vectors, with 912 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 0.99999 1.00001
1.00001 1.00000 1.00002 1.00002 1.00000
0.99997 1.00000 1.00000 1.00002 0.99999
0.99998 1.00000 1.00000 1.00000 1.00000
0.99997 1.00001 1.00001 1.00000 1.00000
0.99998 1.00002 0.99998 0.99999 1.00000
1.00001 0.99999 1.00000 1.00003 1.00000
1.00000 1.00002 0.99998 0.99999 0.99998
1.00002 1.00000 0.99999 0.99999 1.00001
1.00002 1.00001 1.00001 0.99999 1.00000
1.00000 0.99999 1.00002 0.99999 1.00002
1.00002 0.99999 0.99998 1.00002 0.99998
1.00002 1.00001 1.00003 0.99999 1.00000
1.00000 0.99999 1.00001 1.00003 0.99999
1.00001 1.00001 1.00000 0.99999 1.00000
1.00000 1.00000 0.99999 1.00003 0.99998
1.00000 0.99999 1.00002 1.00001 1.00003
0.99999 1.00001 1.00001 0.99998 1.00002
0.99998 1.00000 0.99998 1.00001 0.99998
0.99999 0.99998 1.00001 1.00000 1.00002
0.99998 1.00000 1.00001 0.99999 1.00002
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 63720 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 0.99999 1.00001
1.00001 1.00000 1.00002 1.00002 1.00000
0.99997 1.00000 1.00000 1.00002 0.99999
0.99998 1.00000 1.00000 1.00000 1.00000
0.99997 1.00001 1.00001 1.00000 1.00000
0.99998 1.00002 0.99998 0.99999 1.00000
1.00001 0.99999 1.00000 1.00003 1.00000
1.00000 1.00002 0.99998 0.99999 0.99998
1.00002 1.00000 0.99999 0.99999 1.00001
1.00002 1.00001 1.00001 0.99999 1.00000
1.00000 0.99999 1.00002 0.99999 1.00002
1.00002 0.99999 0.99998 1.00002 0.99998
1.00002 1.00001 1.00003 0.99999 1.00000
1.00000 0.99999 1.00001 1.00003 0.99999
1.00001 1.00001 1.00000 0.99999 1.00000
1.00000 1.00000 0.99999 1.00003 0.99998
1.00000 0.99999 1.00002 1.00001 1.00003
0.99999 1.00001 1.00001 0.99998 1.00002
0.99998 1.00000 0.99998 1.00001 0.99998
0.99999 0.99998 1.00001 1.00000 1.00002
0.99998 1.00000 1.00001 0.99999 1.00002
1.00002
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4: 0.000 0.000-0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000 0.000 0.000 0.000 0.000
Vector 7: 0.000-0.000 0.000 0.000 0.000 0.000
Vector 8:-0.000-0.000-0.000 0.000 0.000-0.000 0.000
Vector 9: 0.000-0.000-0.000 0.000-0.000-0.000 0.000 0.000
Vector 10:-0.000-0.000-0.000 0.000-0.000 0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2403052245441757920.eigenfacs
Openam> file on opening on unit 10:
2403052245441757920.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403052245441757920.atom
Openam> file on opening on unit 11:
2403052245441757920.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 = 446
First residue number = 307
Last residue number = 551
Number of atoms found = 3540
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9805E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9906E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9953E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.629
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.316
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.475
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 8.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.953
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 11.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 11.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 12.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 14.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 15.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 15.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 15.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 16.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 17.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 18.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 19.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 19.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 21.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 23.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 24.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 26.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 27.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 27.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 27.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 28.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 28.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 29.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 29.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 30.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 31.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 32.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 32.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 32.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 33.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 34.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 34.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 35.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 35.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 36.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 36.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 37.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 38.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 39.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 39.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 40.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 41.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 41.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 41.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 42.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 42.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 43.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 43.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 44.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 44.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 45.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 46.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 46.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 46.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 47.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 48.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 48.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 48.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 49.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 49.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 50.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 51.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 51.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 52.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 53.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 53.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 53.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 54.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 54.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 55.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 55.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 56.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 56.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 57.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 58.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 59.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 59.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 60.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 60.86
Bfactors> 106 vectors, 10620 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 : 2.146000
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= 0.614 for 451 C-alpha atoms.
Bfactors> = 0.024 +/- 0.04
Bfactors> = 54.208 +/- 23.17
Bfactors> Shiftng-fct= 54.185
Bfactors> Scaling-fct= 598.278
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403052245441757920 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=0
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=100
2403052245441757920.eigenfacs
2403052245441757920.atom
making animated gifs
11 models are in 2403052245441757920.7.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 2403052245441757920.7.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 2403052245441757920.7.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 2403052245441757920 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=0
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=100
2403052245441757920.eigenfacs
2403052245441757920.atom
making animated gifs
11 models are in 2403052245441757920.8.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 2403052245441757920.8.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 2403052245441757920.8.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 2403052245441757920 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=0
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=100
2403052245441757920.eigenfacs
2403052245441757920.atom
making animated gifs
11 models are in 2403052245441757920.9.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 2403052245441757920.9.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 2403052245441757920.9.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 2403052245441757920 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=0
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=100
2403052245441757920.eigenfacs
2403052245441757920.atom
making animated gifs
11 models are in 2403052245441757920.10.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 2403052245441757920.10.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 2403052245441757920.10.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 2403052245441757920 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=-20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=0
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=20
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=40
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=60
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=80
2403052245441757920.eigenfacs
2403052245441757920.atom
calculating perturbed structure for DQ=100
2403052245441757920.eigenfacs
2403052245441757920.atom
making animated gifs
11 models are in 2403052245441757920.11.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 2403052245441757920.11.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 2403052245441757920.11.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
2403052245441757920.10.pdb
2403052245441757920.11.pdb
2403052245441757920.7.pdb
2403052245441757920.8.pdb
2403052245441757920.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.084s
user 0m14.983s
sys 0m0.052s
../../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: 2403052245441757920.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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