*** libre ***
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 = 2404011910201888427.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 2404011910201888427.atom to be opened.
Openam> File opened: 2404011910201888427.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 = 270
First residue number = 1
Last residue number = 135
Number of atoms found = 2116
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 24.055611 +/- 12.812916 From: -5.081000 To: 53.900000
= 44.707224 +/- 8.053029 From: 24.973000 To: 62.368000
= 55.439957 +/- 13.309912 From: 23.024000 To: 85.643000
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 3.8189 % Filled.
Pdbmat> 769572 non-zero elements.
Pdbmat> 84114 atom-atom interactions.
Pdbmat> Number per atom= 79.50 +/- 22.37
Maximum number = 125
Minimum number = 14
Pdbmat> Matrix trace = 1.682280E+06
Pdbmat> Larger element = 473.229
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
270 non-zero elements, NRBL set to 2
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 = 2404011910201888427.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2404011910201888427.atom to be opened.
Openam> file on opening on unit 11:
2404011910201888427.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2116 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 270 residues.
Blocpdb> 14 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 15
Blocpdb> 19 atoms in block 3
Block first atom: 29
Blocpdb> 12 atoms in block 4
Block first atom: 48
Blocpdb> 15 atoms in block 5
Block first atom: 60
Blocpdb> 13 atoms in block 6
Block first atom: 75
Blocpdb> 19 atoms in block 7
Block first atom: 88
Blocpdb> 11 atoms in block 8
Block first atom: 107
Blocpdb> 14 atoms in block 9
Block first atom: 118
Blocpdb> 19 atoms in block 10
Block first atom: 132
Blocpdb> 19 atoms in block 11
Block first atom: 151
Blocpdb> 12 atoms in block 12
Block first atom: 170
Blocpdb> 14 atoms in block 13
Block first atom: 182
Blocpdb> 15 atoms in block 14
Block first atom: 196
Blocpdb> 11 atoms in block 15
Block first atom: 211
Blocpdb> 22 atoms in block 16
Block first atom: 222
Blocpdb> 17 atoms in block 17
Block first atom: 244
Blocpdb> 16 atoms in block 18
Block first atom: 261
Blocpdb> 14 atoms in block 19
Block first atom: 277
Blocpdb> 13 atoms in block 20
Block first atom: 291
Blocpdb> 18 atoms in block 21
Block first atom: 304
Blocpdb> 10 atoms in block 22
Block first atom: 322
Blocpdb> 13 atoms in block 23
Block first atom: 332
Blocpdb> 13 atoms in block 24
Block first atom: 345
Blocpdb> 21 atoms in block 25
Block first atom: 358
Blocpdb> 15 atoms in block 26
Block first atom: 379
Blocpdb> 19 atoms in block 27
Block first atom: 394
Blocpdb> 15 atoms in block 28
Block first atom: 413
Blocpdb> 15 atoms in block 29
Block first atom: 428
Blocpdb> 14 atoms in block 30
Block first atom: 443
Blocpdb> 19 atoms in block 31
Block first atom: 457
Blocpdb> 15 atoms in block 32
Block first atom: 476
Blocpdb> 18 atoms in block 33
Block first atom: 491
Blocpdb> 10 atoms in block 34
Block first atom: 509
Blocpdb> 18 atoms in block 35
Block first atom: 519
Blocpdb> 20 atoms in block 36
Block first atom: 537
Blocpdb> 20 atoms in block 37
Block first atom: 557
Blocpdb> 11 atoms in block 38
Block first atom: 577
Blocpdb> 11 atoms in block 39
Block first atom: 588
Blocpdb> 18 atoms in block 40
Block first atom: 599
Blocpdb> 20 atoms in block 41
Block first atom: 617
Blocpdb> 13 atoms in block 42
Block first atom: 637
Blocpdb> 18 atoms in block 43
Block first atom: 650
Blocpdb> 16 atoms in block 44
Block first atom: 668
Blocpdb> 16 atoms in block 45
Block first atom: 684
Blocpdb> 13 atoms in block 46
Block first atom: 700
Blocpdb> 14 atoms in block 47
Block first atom: 713
Blocpdb> 12 atoms in block 48
Block first atom: 727
Blocpdb> 20 atoms in block 49
Block first atom: 739
Blocpdb> 12 atoms in block 50
Block first atom: 759
Blocpdb> 11 atoms in block 51
Block first atom: 771
Blocpdb> 13 atoms in block 52
Block first atom: 782
Blocpdb> 21 atoms in block 53
Block first atom: 795
Blocpdb> 20 atoms in block 54
Block first atom: 816
Blocpdb> 22 atoms in block 55
Block first atom: 836
Blocpdb> 21 atoms in block 56
Block first atom: 858
Blocpdb> 15 atoms in block 57
Block first atom: 879
Blocpdb> 13 atoms in block 58
Block first atom: 894
Blocpdb> 18 atoms in block 59
Block first atom: 907
Blocpdb> 19 atoms in block 60
Block first atom: 925
Blocpdb> 16 atoms in block 61
Block first atom: 944
Blocpdb> 11 atoms in block 62
Block first atom: 960
Blocpdb> 12 atoms in block 63
Block first atom: 971
Blocpdb> 16 atoms in block 64
Block first atom: 983
Blocpdb> 16 atoms in block 65
Block first atom: 999
Blocpdb> 13 atoms in block 66
Block first atom: 1015
Blocpdb> 19 atoms in block 67
Block first atom: 1028
Blocpdb> 12 atoms in block 68
Block first atom: 1047
Blocpdb> 14 atoms in block 69
Block first atom: 1059
Blocpdb> 14 atoms in block 70
Block first atom: 1073
Blocpdb> 19 atoms in block 71
Block first atom: 1087
Blocpdb> 12 atoms in block 72
Block first atom: 1106
Blocpdb> 15 atoms in block 73
Block first atom: 1118
Blocpdb> 13 atoms in block 74
Block first atom: 1133
Blocpdb> 19 atoms in block 75
Block first atom: 1146
Blocpdb> 11 atoms in block 76
Block first atom: 1165
Blocpdb> 14 atoms in block 77
Block first atom: 1176
Blocpdb> 19 atoms in block 78
Block first atom: 1190
Blocpdb> 19 atoms in block 79
Block first atom: 1209
Blocpdb> 12 atoms in block 80
Block first atom: 1228
Blocpdb> 14 atoms in block 81
Block first atom: 1240
Blocpdb> 15 atoms in block 82
Block first atom: 1254
Blocpdb> 11 atoms in block 83
Block first atom: 1269
Blocpdb> 22 atoms in block 84
Block first atom: 1280
Blocpdb> 17 atoms in block 85
Block first atom: 1302
Blocpdb> 16 atoms in block 86
Block first atom: 1319
Blocpdb> 14 atoms in block 87
Block first atom: 1335
Blocpdb> 13 atoms in block 88
Block first atom: 1349
Blocpdb> 18 atoms in block 89
Block first atom: 1362
Blocpdb> 10 atoms in block 90
Block first atom: 1380
Blocpdb> 13 atoms in block 91
Block first atom: 1390
Blocpdb> 13 atoms in block 92
Block first atom: 1403
Blocpdb> 21 atoms in block 93
Block first atom: 1416
Blocpdb> 15 atoms in block 94
Block first atom: 1437
Blocpdb> 19 atoms in block 95
Block first atom: 1452
Blocpdb> 15 atoms in block 96
Block first atom: 1471
Blocpdb> 15 atoms in block 97
Block first atom: 1486
Blocpdb> 14 atoms in block 98
Block first atom: 1501
Blocpdb> 19 atoms in block 99
Block first atom: 1515
Blocpdb> 15 atoms in block 100
Block first atom: 1534
Blocpdb> 18 atoms in block 101
Block first atom: 1549
Blocpdb> 10 atoms in block 102
Block first atom: 1567
Blocpdb> 18 atoms in block 103
Block first atom: 1577
Blocpdb> 20 atoms in block 104
Block first atom: 1595
Blocpdb> 20 atoms in block 105
Block first atom: 1615
Blocpdb> 11 atoms in block 106
Block first atom: 1635
Blocpdb> 11 atoms in block 107
Block first atom: 1646
Blocpdb> 18 atoms in block 108
Block first atom: 1657
Blocpdb> 20 atoms in block 109
Block first atom: 1675
Blocpdb> 13 atoms in block 110
Block first atom: 1695
Blocpdb> 18 atoms in block 111
Block first atom: 1708
Blocpdb> 16 atoms in block 112
Block first atom: 1726
Blocpdb> 16 atoms in block 113
Block first atom: 1742
Blocpdb> 13 atoms in block 114
Block first atom: 1758
Blocpdb> 14 atoms in block 115
Block first atom: 1771
Blocpdb> 12 atoms in block 116
Block first atom: 1785
Blocpdb> 20 atoms in block 117
Block first atom: 1797
Blocpdb> 12 atoms in block 118
Block first atom: 1817
Blocpdb> 11 atoms in block 119
Block first atom: 1829
Blocpdb> 13 atoms in block 120
Block first atom: 1840
Blocpdb> 21 atoms in block 121
Block first atom: 1853
Blocpdb> 20 atoms in block 122
Block first atom: 1874
Blocpdb> 22 atoms in block 123
Block first atom: 1894
Blocpdb> 21 atoms in block 124
Block first atom: 1916
Blocpdb> 15 atoms in block 125
Block first atom: 1937
Blocpdb> 13 atoms in block 126
Block first atom: 1952
Blocpdb> 18 atoms in block 127
Block first atom: 1965
Blocpdb> 19 atoms in block 128
Block first atom: 1983
Blocpdb> 16 atoms in block 129
Block first atom: 2002
Blocpdb> 11 atoms in block 130
Block first atom: 2018
Blocpdb> 12 atoms in block 131
Block first atom: 2029
Blocpdb> 16 atoms in block 132
Block first atom: 2041
Blocpdb> 16 atoms in block 133
Block first atom: 2057
Blocpdb> 13 atoms in block 134
Block first atom: 2073
Blocpdb> 19 atoms in block 135
Block first atom: 2086
Blocpdb> 12 atoms in block 136
Block first atom: 2104
Blocpdb> 136 blocks.
Blocpdb> At most, 22 atoms in each of them.
Blocpdb> At least, 10 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> 769708 matrix lines read.
Prepmat> Matrix order = 6348
Prepmat> Matrix trace = 1682280.0000
Prepmat> Last element read: 6348 6348 207.5915
Prepmat> 9317 lines saved.
Prepmat> 7879 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: 2116
RTB> Total mass = 2116.0000
RTB> Number of atoms found in matrix: 2116
RTB> Number of blocks = 136
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 182817.4002
RTB> 49692 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 = 816
Diagstd> Nb of non-zero elements: 49692
Diagstd> Projected matrix trace = 182817.4002
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 816 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 182817.4002
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 1.7367684 2.1562820 2.6057161 6.1432236
6.5367090 6.8770241 7.6532863 8.3122439 9.3971617
9.9134083 10.4644287 11.0682930 11.4652050 14.4257185
15.0819404 16.2299264 17.3962709 19.4438532 20.8631948
21.6229919 22.4372263 23.6099752 23.9524018 24.8180318
25.7305168 26.8626255 27.3140779 27.9241632 28.5649090
29.3112366 29.8070768 30.4587563 30.7416332 30.9238660
31.5944093 32.4299623 33.1427899 33.9711051 35.0990557
35.8730239 36.3342149 37.4911032 37.9773113 39.9201170
40.0960419 41.2918335 42.6338728 42.8068661 44.0790107
44.7441639 45.1598358 46.4588889 46.7698119 47.8113230
48.8312142 49.5083856 50.4806544 51.9674301 52.5889955
52.7230987 53.9734734 54.6439896 55.8678667 56.6022719
57.2765509 58.5977965 59.0888496 59.8427249 60.2968850
61.0438286 61.4344120 61.5718180 62.7122746 63.0835464
63.4889098 64.3404818 64.9265053 65.2226754 66.3539269
66.9527435 67.9851284 68.7167076 69.2637146 69.4044074
69.8780211 70.9229152 72.0513373 72.6801295 73.0131091
73.9591563 74.6123811 75.1268894 75.7573564 76.1028964
77.2951810 78.5279197 78.9053449 79.7108008 80.7876196
81.2788486
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034329 0.0034335 0.0034336 0.0034337 0.0034344
0.0034350 143.1087670 159.4586430 175.2906822 269.1494160
277.6354097 284.7708648 300.4133718 313.0793477 332.8845437
341.9060432 351.2796912 361.2730824 367.6937029 412.4430661
421.7197017 437.4753182 452.9219428 478.8356167 496.0045803
504.9555769 514.3750136 527.6464808 531.4590588 540.9771839
550.8324727 562.8199834 567.5296453 573.8327942 580.3790169
587.9120350 592.8638548 599.3097781 602.0863041 603.8682157
610.3801479 618.3986061 625.1580274 632.9218925 643.3436172
650.3981145 654.5655895 664.9046807 669.2022427 686.1059456
687.6160921 697.7942143 709.0431614 710.4802294 720.9600493
726.3793327 729.7455531 740.1669516 742.6395800 750.8629253
758.8292136 764.0726643 771.5387950 782.8181756 787.4857758
788.4891903 797.7842605 802.7244295 811.6640758 816.9814802
821.8332516 831.2581622 834.7338930 840.0419230 843.2235331
848.4302849 851.1402593 852.0915701 859.9467448 862.4885341
865.2551939 871.0386673 874.9964557 876.9898865 884.5626455
888.5450857 895.3693862 900.1739726 903.7497077 904.6671183
907.7485815 914.5102334 921.7567005 925.7700499 927.8883059
933.8803866 937.9954467 941.2239811 945.1651191 947.3181828
954.7100398 962.2930000 964.6027409 969.5135124 976.0401574
979.0030656
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2116
Rtb_to_modes> Number of blocs = 136
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: 9.9936E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9978E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.737
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.156
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.606
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.143
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.537
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.877
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.653
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.312
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.397
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.913
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.46
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.07
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.47
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.43
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.08
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.23
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 17.40
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.44
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 20.86
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 21.62
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.44
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.61
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.95
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.82
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.73
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 26.86
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 27.31
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 27.92
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.56
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 29.31
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 29.81
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 30.46
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 30.74
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 30.92
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 31.59
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 32.43
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 33.14
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 33.97
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 35.10
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 35.87
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 36.33
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 37.49
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 37.98
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 39.92
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 40.10
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 41.29
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 42.63
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 42.81
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 44.08
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 44.74
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 45.16
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 46.46
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 46.77
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 47.81
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 48.83
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 49.51
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 50.48
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 51.97
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 52.59
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 52.72
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 53.97
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 54.64
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 55.87
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 56.60
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 57.28
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 58.60
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 59.09
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 59.84
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 60.30
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 61.04
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 61.43
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 61.57
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 62.71
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 63.08
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 63.49
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 64.34
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 64.93
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 65.22
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 66.35
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 66.95
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 67.99
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 68.72
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 69.26
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 69.40
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 69.88
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 70.92
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 72.05
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 72.68
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 73.01
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 73.96
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 74.61
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 75.13
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 75.76
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 76.10
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 77.30
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 78.53
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 78.91
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 79.71
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 80.79
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 81.28
Rtb_to_modes> 106 vectors, with 816 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00001 1.00000 1.00001 0.99998
0.99999 0.99999 1.00000 0.99999 0.99998
0.99998 0.99997 1.00000 1.00002 1.00001
0.99997 1.00002 1.00000 0.99997 1.00000
0.99999 1.00002 0.99997 1.00002 1.00000
1.00003 1.00001 0.99998 1.00001 0.99997
1.00001 0.99999 1.00002 0.99999 1.00001
1.00001 1.00001 1.00001 1.00001 1.00000
1.00001 1.00000 1.00003 1.00000 0.99997
1.00000 0.99999 1.00000 0.99998 0.99999
1.00000 0.99999 1.00001 0.99998 1.00003
0.99997 0.99998 1.00000 1.00000 0.99999
1.00000 1.00000 1.00000 0.99999 1.00003
0.99998 1.00003 1.00001 0.99998 1.00004
1.00001 1.00000 0.99998 0.99996 1.00001
0.99998 1.00000 1.00002 0.99996 1.00003
0.99999 0.99999 0.99999 0.99996 0.99999
1.00002 1.00002 1.00000 0.99999 0.99998
0.99998 0.99999 1.00003 1.00001 1.00002
1.00002 1.00001 1.00000 1.00000 1.00000
1.00002 0.99998 0.99999 1.00001 1.00001
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 38088 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00001 1.00000 1.00001 0.99998
0.99999 0.99999 1.00000 0.99999 0.99998
0.99998 0.99997 1.00000 1.00002 1.00001
0.99997 1.00002 1.00000 0.99997 1.00000
0.99999 1.00002 0.99997 1.00002 1.00000
1.00003 1.00001 0.99998 1.00001 0.99997
1.00001 0.99999 1.00002 0.99999 1.00001
1.00001 1.00001 1.00001 1.00001 1.00000
1.00001 1.00000 1.00003 1.00000 0.99997
1.00000 0.99999 1.00000 0.99998 0.99999
1.00000 0.99999 1.00001 0.99998 1.00003
0.99997 0.99998 1.00000 1.00000 0.99999
1.00000 1.00000 1.00000 0.99999 1.00003
0.99998 1.00003 1.00001 0.99998 1.00004
1.00001 1.00000 0.99998 0.99996 1.00001
0.99998 1.00000 1.00002 0.99996 1.00003
0.99999 0.99999 0.99999 0.99996 0.99999
1.00002 1.00002 1.00000 0.99999 0.99998
0.99998 0.99999 1.00003 1.00001 1.00002
1.00002 1.00001 1.00000 1.00000 1.00000
1.00002 0.99998 0.99999 1.00001 1.00001
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4: 0.000 0.000 0.000
Vector 5: 0.000 0.000 0.000-0.000
Vector 6: 0.000-0.000 0.000-0.000 0.000
Vector 7: 0.000 0.000-0.000 0.000-0.000-0.000
Vector 8: 0.000 0.000-0.000-0.000-0.000-0.000-0.000
Vector 9:-0.000-0.000 0.000-0.000 0.000-0.000-0.000 0.000
Vector 10: 0.000 0.000 0.000-0.000-0.000 0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404011910201888427.eigenfacs
Openam> file on opening on unit 10:
2404011910201888427.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404011910201888427.atom
Openam> file on opening on unit 11:
2404011910201888427.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 = 270
First residue number = 1
Last residue number = 135
Number of atoms found = 2116
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9936E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9978E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.737
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.537
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.312
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.397
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.913
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 17.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 20.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 21.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 26.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 27.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 27.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 29.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 29.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 30.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 30.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 30.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 31.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 32.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 33.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 33.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 35.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 35.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 36.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 37.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 37.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 39.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 40.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 41.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 42.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 42.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 44.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 44.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 45.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 46.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 46.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 47.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 48.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 49.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 50.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 51.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 52.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 52.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 53.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 54.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 55.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 56.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 57.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 58.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 59.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 59.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 60.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 61.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 61.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 61.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 62.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 63.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 63.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 64.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 64.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 65.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 66.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 66.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 67.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 68.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 69.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 69.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 69.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 70.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 72.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 72.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 73.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 73.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 74.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 75.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 75.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 76.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 77.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 78.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 78.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 79.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 80.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 81.28
Bfactors> 106 vectors, 6348 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 : 1.737000
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= 0.596 for 270 C-alpha atoms.
Bfactors> = 0.031 +/- 0.03
Bfactors> = 32.621 +/- 12.13
Bfactors> Shiftng-fct= 32.589
Bfactors> Scaling-fct= 349.148
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404011910201888427 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=0
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=100
2404011910201888427.eigenfacs
2404011910201888427.atom
making animated gifs
11 models are in 2404011910201888427.7.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 2404011910201888427.7.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 2404011910201888427.7.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 2404011910201888427 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=0
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=100
2404011910201888427.eigenfacs
2404011910201888427.atom
making animated gifs
11 models are in 2404011910201888427.8.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 2404011910201888427.8.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 2404011910201888427.8.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 2404011910201888427 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=0
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=100
2404011910201888427.eigenfacs
2404011910201888427.atom
making animated gifs
11 models are in 2404011910201888427.9.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 2404011910201888427.9.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 2404011910201888427.9.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 2404011910201888427 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=0
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=100
2404011910201888427.eigenfacs
2404011910201888427.atom
making animated gifs
11 models are in 2404011910201888427.10.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 2404011910201888427.10.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 2404011910201888427.10.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 2404011910201888427 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=-20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=0
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=20
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=40
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=60
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=80
2404011910201888427.eigenfacs
2404011910201888427.atom
calculating perturbed structure for DQ=100
2404011910201888427.eigenfacs
2404011910201888427.atom
making animated gifs
11 models are in 2404011910201888427.11.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 2404011910201888427.11.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 2404011910201888427.11.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
2404011910201888427.10.pdb
2404011910201888427.11.pdb
2404011910201888427.7.pdb
2404011910201888427.8.pdb
2404011910201888427.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m9.178s
user 0m9.142s
sys 0m0.036s
../../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: 2404011910201888427.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.
|
