*** G7J6M8 ***
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 = 24010714361861143.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 24010714361861143.atom to be opened.
Openam> File opened: 24010714361861143.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 = 655
First residue number = 1
Last residue number = 655
Number of atoms found = 5895
Mean number per residue = 9.0
Pdbmat> Coordinate statistics:
= -11.162007 +/- 27.301926 From: -71.542000 To: 44.862000
= -3.814272 +/- 11.297039 From: -33.663000 To: 24.360000
= 13.947588 +/- 34.493600 From: -43.722000 To: 74.483000
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 1.4811 % Filled.
Pdbmat> 2316218 non-zero elements.
Pdbmat> 253542 atom-atom interactions.
Pdbmat> Number per atom= 86.02 +/- 26.57
Maximum number = 146
Minimum number = 11
Pdbmat> Matrix trace = 5.070840E+06
Pdbmat> Larger element = 620.776
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
655 non-zero elements, NRBL set to 4
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 24010714361861143.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 24010714361861143.atom to be opened.
Openam> file on opening on unit 11:
24010714361861143.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5895 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 655 residues.
Blocpdb> 37 atoms in block 1
Block first atom: 1
Blocpdb> 38 atoms in block 2
Block first atom: 38
Blocpdb> 38 atoms in block 3
Block first atom: 76
Blocpdb> 35 atoms in block 4
Block first atom: 114
Blocpdb> 37 atoms in block 5
Block first atom: 149
Blocpdb> 34 atoms in block 6
Block first atom: 186
Blocpdb> 31 atoms in block 7
Block first atom: 220
Blocpdb> 38 atoms in block 8
Block first atom: 251
Blocpdb> 37 atoms in block 9
Block first atom: 289
Blocpdb> 37 atoms in block 10
Block first atom: 326
Blocpdb> 36 atoms in block 11
Block first atom: 363
Blocpdb> 39 atoms in block 12
Block first atom: 399
Blocpdb> 34 atoms in block 13
Block first atom: 438
Blocpdb> 33 atoms in block 14
Block first atom: 472
Blocpdb> 31 atoms in block 15
Block first atom: 505
Blocpdb> 34 atoms in block 16
Block first atom: 536
Blocpdb> 42 atoms in block 17
Block first atom: 570
Blocpdb> 33 atoms in block 18
Block first atom: 612
Blocpdb> 33 atoms in block 19
Block first atom: 645
Blocpdb> 39 atoms in block 20
Block first atom: 678
Blocpdb> 35 atoms in block 21
Block first atom: 717
Blocpdb> 37 atoms in block 22
Block first atom: 752
Blocpdb> 35 atoms in block 23
Block first atom: 789
Blocpdb> 28 atoms in block 24
Block first atom: 824
Blocpdb> 35 atoms in block 25
Block first atom: 852
Blocpdb> 34 atoms in block 26
Block first atom: 887
Blocpdb> 33 atoms in block 27
Block first atom: 921
Blocpdb> 34 atoms in block 28
Block first atom: 954
Blocpdb> 35 atoms in block 29
Block first atom: 988
Blocpdb> 40 atoms in block 30
Block first atom: 1023
Blocpdb> 35 atoms in block 31
Block first atom: 1063
Blocpdb> 40 atoms in block 32
Block first atom: 1098
Blocpdb> 40 atoms in block 33
Block first atom: 1138
Blocpdb> 34 atoms in block 34
Block first atom: 1178
Blocpdb> 34 atoms in block 35
Block first atom: 1212
Blocpdb> 37 atoms in block 36
Block first atom: 1246
Blocpdb> 31 atoms in block 37
Block first atom: 1283
Blocpdb> 37 atoms in block 38
Block first atom: 1314
Blocpdb> 31 atoms in block 39
Block first atom: 1351
Blocpdb> 40 atoms in block 40
Block first atom: 1382
Blocpdb> 34 atoms in block 41
Block first atom: 1422
Blocpdb> 36 atoms in block 42
Block first atom: 1456
Blocpdb> 32 atoms in block 43
Block first atom: 1492
Blocpdb> 34 atoms in block 44
Block first atom: 1524
Blocpdb> 35 atoms in block 45
Block first atom: 1558
Blocpdb> 33 atoms in block 46
Block first atom: 1593
Blocpdb> 33 atoms in block 47
Block first atom: 1626
Blocpdb> 30 atoms in block 48
Block first atom: 1659
Blocpdb> 39 atoms in block 49
Block first atom: 1689
Blocpdb> 37 atoms in block 50
Block first atom: 1728
Blocpdb> 43 atoms in block 51
Block first atom: 1765
Blocpdb> 44 atoms in block 52
Block first atom: 1808
Blocpdb> 30 atoms in block 53
Block first atom: 1852
Blocpdb> 32 atoms in block 54
Block first atom: 1882
Blocpdb> 34 atoms in block 55
Block first atom: 1914
Blocpdb> 35 atoms in block 56
Block first atom: 1948
Blocpdb> 34 atoms in block 57
Block first atom: 1983
Blocpdb> 37 atoms in block 58
Block first atom: 2017
Blocpdb> 34 atoms in block 59
Block first atom: 2054
Blocpdb> 28 atoms in block 60
Block first atom: 2088
Blocpdb> 36 atoms in block 61
Block first atom: 2116
Blocpdb> 37 atoms in block 62
Block first atom: 2152
Blocpdb> 29 atoms in block 63
Block first atom: 2189
Blocpdb> 42 atoms in block 64
Block first atom: 2218
Blocpdb> 40 atoms in block 65
Block first atom: 2260
Blocpdb> 39 atoms in block 66
Block first atom: 2300
Blocpdb> 34 atoms in block 67
Block first atom: 2339
Blocpdb> 39 atoms in block 68
Block first atom: 2373
Blocpdb> 37 atoms in block 69
Block first atom: 2412
Blocpdb> 43 atoms in block 70
Block first atom: 2449
Blocpdb> 34 atoms in block 71
Block first atom: 2492
Blocpdb> 33 atoms in block 72
Block first atom: 2526
Blocpdb> 28 atoms in block 73
Block first atom: 2559
Blocpdb> 41 atoms in block 74
Block first atom: 2587
Blocpdb> 43 atoms in block 75
Block first atom: 2628
Blocpdb> 48 atoms in block 76
Block first atom: 2671
Blocpdb> 37 atoms in block 77
Block first atom: 2719
Blocpdb> 42 atoms in block 78
Block first atom: 2756
Blocpdb> 43 atoms in block 79
Block first atom: 2798
Blocpdb> 34 atoms in block 80
Block first atom: 2841
Blocpdb> 33 atoms in block 81
Block first atom: 2875
Blocpdb> 35 atoms in block 82
Block first atom: 2908
Blocpdb> 42 atoms in block 83
Block first atom: 2943
Blocpdb> 39 atoms in block 84
Block first atom: 2985
Blocpdb> 33 atoms in block 85
Block first atom: 3024
Blocpdb> 38 atoms in block 86
Block first atom: 3057
Blocpdb> 33 atoms in block 87
Block first atom: 3095
Blocpdb> 32 atoms in block 88
Block first atom: 3128
Blocpdb> 35 atoms in block 89
Block first atom: 3160
Blocpdb> 36 atoms in block 90
Block first atom: 3195
Blocpdb> 34 atoms in block 91
Block first atom: 3231
Blocpdb> 33 atoms in block 92
Block first atom: 3265
Blocpdb> 40 atoms in block 93
Block first atom: 3298
Blocpdb> 35 atoms in block 94
Block first atom: 3338
Blocpdb> 29 atoms in block 95
Block first atom: 3373
Blocpdb> 41 atoms in block 96
Block first atom: 3402
Blocpdb> 36 atoms in block 97
Block first atom: 3443
Blocpdb> 34 atoms in block 98
Block first atom: 3479
Blocpdb> 42 atoms in block 99
Block first atom: 3513
Blocpdb> 38 atoms in block 100
Block first atom: 3555
Blocpdb> 33 atoms in block 101
Block first atom: 3593
Blocpdb> 40 atoms in block 102
Block first atom: 3626
Blocpdb> 38 atoms in block 103
Block first atom: 3666
Blocpdb> 45 atoms in block 104
Block first atom: 3704
Blocpdb> 39 atoms in block 105
Block first atom: 3749
Blocpdb> 38 atoms in block 106
Block first atom: 3788
Blocpdb> 41 atoms in block 107
Block first atom: 3826
Blocpdb> 37 atoms in block 108
Block first atom: 3867
Blocpdb> 39 atoms in block 109
Block first atom: 3904
Blocpdb> 44 atoms in block 110
Block first atom: 3943
Blocpdb> 41 atoms in block 111
Block first atom: 3987
Blocpdb> 32 atoms in block 112
Block first atom: 4028
Blocpdb> 35 atoms in block 113
Block first atom: 4060
Blocpdb> 43 atoms in block 114
Block first atom: 4095
Blocpdb> 36 atoms in block 115
Block first atom: 4138
Blocpdb> 39 atoms in block 116
Block first atom: 4174
Blocpdb> 35 atoms in block 117
Block first atom: 4213
Blocpdb> 32 atoms in block 118
Block first atom: 4248
Blocpdb> 36 atoms in block 119
Block first atom: 4280
Blocpdb> 34 atoms in block 120
Block first atom: 4316
Blocpdb> 35 atoms in block 121
Block first atom: 4350
Blocpdb> 32 atoms in block 122
Block first atom: 4385
Blocpdb> 35 atoms in block 123
Block first atom: 4417
Blocpdb> 37 atoms in block 124
Block first atom: 4452
Blocpdb> 32 atoms in block 125
Block first atom: 4489
Blocpdb> 31 atoms in block 126
Block first atom: 4521
Blocpdb> 31 atoms in block 127
Block first atom: 4552
Blocpdb> 36 atoms in block 128
Block first atom: 4583
Blocpdb> 38 atoms in block 129
Block first atom: 4619
Blocpdb> 36 atoms in block 130
Block first atom: 4657
Blocpdb> 32 atoms in block 131
Block first atom: 4693
Blocpdb> 36 atoms in block 132
Block first atom: 4725
Blocpdb> 34 atoms in block 133
Block first atom: 4761
Blocpdb> 37 atoms in block 134
Block first atom: 4795
Blocpdb> 30 atoms in block 135
Block first atom: 4832
Blocpdb> 38 atoms in block 136
Block first atom: 4862
Blocpdb> 35 atoms in block 137
Block first atom: 4900
Blocpdb> 34 atoms in block 138
Block first atom: 4935
Blocpdb> 33 atoms in block 139
Block first atom: 4969
Blocpdb> 42 atoms in block 140
Block first atom: 5002
Blocpdb> 43 atoms in block 141
Block first atom: 5044
Blocpdb> 38 atoms in block 142
Block first atom: 5087
Blocpdb> 37 atoms in block 143
Block first atom: 5125
Blocpdb> 30 atoms in block 144
Block first atom: 5162
Blocpdb> 39 atoms in block 145
Block first atom: 5192
Blocpdb> 36 atoms in block 146
Block first atom: 5231
Blocpdb> 35 atoms in block 147
Block first atom: 5267
Blocpdb> 33 atoms in block 148
Block first atom: 5302
Blocpdb> 34 atoms in block 149
Block first atom: 5335
Blocpdb> 35 atoms in block 150
Block first atom: 5369
Blocpdb> 37 atoms in block 151
Block first atom: 5404
Blocpdb> 32 atoms in block 152
Block first atom: 5441
Blocpdb> 40 atoms in block 153
Block first atom: 5473
Blocpdb> 34 atoms in block 154
Block first atom: 5513
Blocpdb> 34 atoms in block 155
Block first atom: 5547
Blocpdb> 36 atoms in block 156
Block first atom: 5581
Blocpdb> 39 atoms in block 157
Block first atom: 5617
Blocpdb> 36 atoms in block 158
Block first atom: 5656
Blocpdb> 36 atoms in block 159
Block first atom: 5692
Blocpdb> 31 atoms in block 160
Block first atom: 5728
Blocpdb> 34 atoms in block 161
Block first atom: 5759
Blocpdb> 36 atoms in block 162
Block first atom: 5793
Blocpdb> 35 atoms in block 163
Block first atom: 5829
Blocpdb> 32 atoms in block 164
Block first atom: 5863
Blocpdb> 164 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 28 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> 2316382 matrix lines read.
Prepmat> Matrix order = 17685
Prepmat> Matrix trace = 5070840.0000
Prepmat> Last element read: 17685 17685 215.6455
Prepmat> 13531 lines saved.
Prepmat> 12209 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: 5895
RTB> Total mass = 5895.0000
RTB> Number of atoms found in matrix: 5895
RTB> Number of blocks = 164
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 196367.2902
RTB> 45096 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 984
Diagstd> Nb of non-zero elements: 45096
Diagstd> Projected matrix trace = 196367.2902
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 984 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 196367.2902
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 0.0005789 0.0009782 0.0018253 0.0091568
0.0130431 0.0219090 0.0347866 0.0739049 0.1672908
0.5171500 0.5366145 0.6307631 0.8698124 0.9639539
1.1421150 1.6657514 1.7416573 2.2085557 2.5468734
2.6953668 2.8007666 3.0740103 3.2908610 3.4218220
3.8725502 4.2351433 4.5095338 4.9731747 5.4611966
6.4706516 6.8715503 7.0497830 7.3401805 7.4866101
7.9610100 8.6132641 8.9675715 9.5308010 9.6102768
9.7689310 10.0279045 10.4221612 10.8133440 11.2478878
11.5827501 11.9852620 12.2482283 12.6371006 12.9189560
13.8125485 14.1121424 14.4865976 14.8264813 16.2955976
16.5243140 16.8242473 16.9001430 17.5233943 17.6087486
17.6496910 18.0362317 18.6890052 19.4625713 19.5373421
19.8948132 20.4408634 21.1502370 21.3898422 21.9233187
22.0677896 22.3666151 22.9205922 23.1621720 23.5771230
24.2079463 24.2656004 24.6097028 24.7830304 25.0720871
25.3330904 25.5223454 25.7983446 26.0014568 26.9824925
27.2142759 27.8647717 28.2765485 28.7074968 29.2732178
29.8839583 30.2040103 30.4580664 30.6849916 30.8624649
31.3616471 31.5755199 31.8306161 32.1879488 32.5901258
32.8162719
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034325 0.0034335 0.0034342 0.0034343 0.0034347
0.0034352 2.6126411 3.3963927 4.6393743 10.3912377
12.4018174 16.0733559 20.2535484 29.5210597 44.4151735
78.0914582 79.5474899 86.2439038 101.2763614 106.6162503
116.0513488 140.1523480 143.3100433 161.3799050 173.3001586
178.2806520 181.7329764 190.3916692 196.9926620 200.8741202
213.6947283 223.4752006 230.6009556 242.1654244 253.7693615
276.2290105 284.6575102 288.3255666 294.2040525 297.1241067
306.3933708 318.6978710 325.1866467 335.2432024 336.6380705
339.4054414 343.8748192 350.5695353 357.0880276 364.1923080
369.5737558 375.9404406 380.0422823 386.0281738 390.3093807
403.5823718 407.9357389 413.3124419 418.1328875 438.3595027
441.4250756 445.4132190 446.4167378 454.5737954 455.6795372
456.2089836 461.1775763 469.4489507 479.0660433 479.9853931
484.3565899 490.9586302 499.4050157 502.2258594 508.4502077
510.1227557 513.5649930 519.8860893 522.6186718 527.2792548
534.2865650 534.9224202 538.7018468 540.5955728 543.7390501
546.5619158 548.5997065 551.5580151 553.7249862 564.0742996
566.4918572 573.2222311 577.4421465 581.8257560 587.5306295
593.6279508 596.7983109 599.3029905 601.5313752 603.2684113
608.1275964 610.1976564 612.6575679 616.0868387 619.9237839
622.0709216
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5895
Rtb_to_modes> Number of blocs = 164
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9913E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9974E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.7885E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 9.7824E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.8253E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.1568E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.3043E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.1909E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.4787E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.3905E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.1673
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.5171
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5366
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6308
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8698
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9640
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.142
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.666
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.742
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.209
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.547
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.695
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.801
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 3.074
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.291
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.422
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.873
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.235
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.510
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 4.973
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.461
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.471
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.872
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 7.050
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 7.340
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 7.487
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 7.961
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 8.613
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 8.968
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 9.531
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 9.610
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 9.769
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 10.03
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 10.42
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 10.81
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 11.25
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 11.58
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 11.99
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 12.25
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 12.64
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 13.81
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 14.11
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 14.49
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 14.83
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 16.30
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 16.52
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 16.82
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 16.90
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 17.52
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 17.61
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 17.65
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 18.04
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 18.69
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 19.46
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 19.54
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 19.89
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 20.44
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 21.15
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 21.39
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 21.92
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 22.07
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 22.37
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 22.92
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 23.16
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 23.58
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 24.21
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 24.27
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 24.61
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 24.78
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 25.07
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 25.33
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 25.52
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 25.80
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 26.00
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 26.98
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 27.21
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 28.28
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 28.71
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 29.27
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 29.88
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 30.20
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 30.46
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 30.68
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 30.86
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 31.36
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 31.58
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 31.83
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 32.19
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 32.59
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 32.82
Rtb_to_modes> 106 vectors, with 984 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 0.99999 0.99999 1.00000 0.99999
1.00002 0.99999 0.99997 0.99998 1.00000
0.99996 1.00008 1.00000 1.00001 0.99996
0.99996 0.99998 0.99998 1.00001 0.99998
0.99995 1.00002 1.00000 0.99998 0.99999
0.99996 0.99999 1.00001 0.99997 0.99997
1.00001 1.00003 0.99998 0.99998 0.99998
1.00000 0.99997 1.00004 0.99999 1.00000
1.00000 1.00000 1.00000 1.00002 1.00002
0.99998 1.00001 1.00001 1.00001 1.00002
0.99998 1.00000 0.99999 0.99995 1.00000
1.00002 1.00002 0.99997 1.00001 1.00000
0.99999 0.99999 1.00002 0.99999 1.00003
1.00002 0.99997 0.99998 1.00004 0.99997
0.99999 1.00001 1.00002 1.00000 1.00000
1.00001 1.00002 0.99995 1.00001 1.00001
1.00002 1.00000 1.00000 0.99997 1.00000
1.00000 1.00000 1.00000 0.99999 0.99996
1.00002 1.00002 1.00002 1.00001 1.00001
1.00002 1.00000 1.00002 1.00001 1.00002
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 106110 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 0.99999 0.99999 1.00000 0.99999
1.00002 0.99999 0.99997 0.99998 1.00000
0.99996 1.00008 1.00000 1.00001 0.99996
0.99996 0.99998 0.99998 1.00001 0.99998
0.99995 1.00002 1.00000 0.99998 0.99999
0.99996 0.99999 1.00001 0.99997 0.99997
1.00001 1.00003 0.99998 0.99998 0.99998
1.00000 0.99997 1.00004 0.99999 1.00000
1.00000 1.00000 1.00000 1.00002 1.00002
0.99998 1.00001 1.00001 1.00001 1.00002
0.99998 1.00000 0.99999 0.99995 1.00000
1.00002 1.00002 0.99997 1.00001 1.00000
0.99999 0.99999 1.00002 0.99999 1.00003
1.00002 0.99997 0.99998 1.00004 0.99997
0.99999 1.00001 1.00002 1.00000 1.00000
1.00001 1.00002 0.99995 1.00001 1.00001
1.00002 1.00000 1.00000 0.99997 1.00000
1.00000 1.00000 1.00000 0.99999 0.99996
1.00002 1.00002 1.00002 1.00001 1.00001
1.00002 1.00000 1.00002 1.00001 1.00002
0.99998
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> 24010714361861143.eigenfacs
Openam> file on opening on unit 10:
24010714361861143.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 24010714361861143.atom
Openam> file on opening on unit 11:
24010714361861143.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 = 655
First residue number = 1
Last residue number = 655
Number of atoms found = 5895
Mean number per residue = 9.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9913E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7885E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7824E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.8253E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1568E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3043E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1909E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4787E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.3905E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6308
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.209
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.801
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.074
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.973
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.461
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.872
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.340
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 7.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 8.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 8.968
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 9.531
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 9.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 9.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 10.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 10.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 11.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 11.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 12.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 14.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 14.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 14.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 16.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 16.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 16.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 16.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 17.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 17.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 18.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 18.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 19.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 19.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 21.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 21.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 22.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 22.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 22.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 23.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 23.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 24.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 24.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 24.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 24.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 25.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 25.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 25.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 25.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 26.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 26.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 27.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 28.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 28.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 29.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 29.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 30.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 30.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 30.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 30.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 31.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 31.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 31.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 32.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 32.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 32.82
Bfactors> 106 vectors, 17685 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 : 0.000579
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 9.175 +/- 11.37
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -9.175
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 24010714361861143 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=0
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=100
24010714361861143.eigenfacs
24010714361861143.atom
making animated gifs
11 models are in 24010714361861143.7.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 24010714361861143.7.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 24010714361861143.7.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 24010714361861143 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=0
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=100
24010714361861143.eigenfacs
24010714361861143.atom
making animated gifs
11 models are in 24010714361861143.8.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 24010714361861143.8.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 24010714361861143.8.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 24010714361861143 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=0
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=100
24010714361861143.eigenfacs
24010714361861143.atom
making animated gifs
11 models are in 24010714361861143.9.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 24010714361861143.9.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 24010714361861143.9.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 24010714361861143 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=0
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=100
24010714361861143.eigenfacs
24010714361861143.atom
making animated gifs
11 models are in 24010714361861143.10.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 24010714361861143.10.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 24010714361861143.10.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 24010714361861143 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=-20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=0
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=20
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=40
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=60
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=80
24010714361861143.eigenfacs
24010714361861143.atom
calculating perturbed structure for DQ=100
24010714361861143.eigenfacs
24010714361861143.atom
making animated gifs
11 models are in 24010714361861143.11.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 24010714361861143.11.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 24010714361861143.11.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
24010714361861143.10.pdb
24010714361861143.11.pdb
24010714361861143.7.pdb
24010714361861143.8.pdb
24010714361861143.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m24.716s
user 0m24.622s
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: 24010714361861143.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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