*** ***
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 = 2404022108342089814.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 2404022108342089814.atom to be opened.
Openam> File opened: 2404022108342089814.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 = 135
First residue number = 21
Last residue number = 155
Number of atoms found = 1093
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= -27.600039 +/- 7.269206 From: -44.107000 To: -9.961000
= -11.836262 +/- 10.146053 From: -37.021000 To: 9.195000
= 20.054198 +/- 8.914091 From: -4.734000 To: 36.570000
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 6.7614 % Filled.
Pdbmat> 363599 non-zero elements.
Pdbmat> 39679 atom-atom interactions.
Pdbmat> Number per atom= 72.61 +/- 20.77
Maximum number = 114
Minimum number = 16
Pdbmat> Matrix trace = 793580.
Pdbmat> Larger element = 440.887
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
135 non-zero elements, NRBL set to 1
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 = 2404022108342089814.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2404022108342089814.atom to be opened.
Openam> file on opening on unit 11:
2404022108342089814.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1093 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 135 residues.
Blocpdb> 9 atoms in block 1
Block first atom: 1
Blocpdb> 9 atoms in block 2
Block first atom: 10
Blocpdb> 14 atoms in block 3
Block first atom: 19
Blocpdb> 11 atoms in block 4
Block first atom: 33
Blocpdb> 6 atoms in block 5
Block first atom: 44
Blocpdb> 8 atoms in block 6
Block first atom: 50
Blocpdb> 6 atoms in block 7
Block first atom: 58
Blocpdb> 6 atoms in block 8
Block first atom: 64
Blocpdb> 8 atoms in block 9
Block first atom: 70
Blocpdb> 5 atoms in block 10
Block first atom: 78
Blocpdb> 8 atoms in block 11
Block first atom: 83
Blocpdb> 8 atoms in block 12
Block first atom: 91
Blocpdb> 6 atoms in block 13
Block first atom: 99
Blocpdb> 12 atoms in block 14
Block first atom: 105
Blocpdb> 6 atoms in block 15
Block first atom: 117
Blocpdb> 12 atoms in block 16
Block first atom: 123
Blocpdb> 6 atoms in block 17
Block first atom: 135
Blocpdb> 8 atoms in block 18
Block first atom: 141
Blocpdb> 10 atoms in block 19
Block first atom: 149
Blocpdb> 8 atoms in block 20
Block first atom: 159
Blocpdb> 9 atoms in block 21
Block first atom: 167
Blocpdb> 11 atoms in block 22
Block first atom: 176
Blocpdb> 7 atoms in block 23
Block first atom: 187
Blocpdb> 8 atoms in block 24
Block first atom: 194
Blocpdb> 6 atoms in block 25
Block first atom: 202
Blocpdb> 8 atoms in block 26
Block first atom: 208
Blocpdb> 6 atoms in block 27
Block first atom: 216
Blocpdb> 6 atoms in block 28
Block first atom: 222
Blocpdb> 9 atoms in block 29
Block first atom: 228
Blocpdb> 7 atoms in block 30
Block first atom: 237
Blocpdb> 6 atoms in block 31
Block first atom: 244
Blocpdb> 8 atoms in block 32
Block first atom: 250
Blocpdb> 11 atoms in block 33
Block first atom: 258
Blocpdb> 8 atoms in block 34
Block first atom: 269
Blocpdb> 11 atoms in block 35
Block first atom: 277
Blocpdb> 4 atoms in block 36
Block first atom: 288
Blocpdb> 7 atoms in block 37
Block first atom: 292
Blocpdb> 8 atoms in block 38
Block first atom: 299
Blocpdb> 4 atoms in block 39
Block first atom: 307
Blocpdb> 11 atoms in block 40
Block first atom: 311
Blocpdb> 7 atoms in block 41
Block first atom: 322
Blocpdb> 10 atoms in block 42
Block first atom: 329
Blocpdb> 7 atoms in block 43
Block first atom: 339
Blocpdb> 9 atoms in block 44
Block first atom: 346
Blocpdb> 11 atoms in block 45
Block first atom: 355
Blocpdb> 8 atoms in block 46
Block first atom: 366
Blocpdb> 7 atoms in block 47
Block first atom: 374
Blocpdb> 11 atoms in block 48
Block first atom: 381
Blocpdb> 4 atoms in block 49
Block first atom: 392
Blocpdb> 8 atoms in block 50
Block first atom: 396
Blocpdb> 8 atoms in block 51
Block first atom: 404
Blocpdb> 9 atoms in block 52
Block first atom: 412
Blocpdb> 12 atoms in block 53
Block first atom: 421
Blocpdb> 8 atoms in block 54
Block first atom: 433
Blocpdb> 12 atoms in block 55
Block first atom: 441
Blocpdb> 11 atoms in block 56
Block first atom: 453
Blocpdb> 8 atoms in block 57
Block first atom: 464
Blocpdb> 8 atoms in block 58
Block first atom: 472
Blocpdb> 11 atoms in block 59
Block first atom: 480
Blocpdb> 8 atoms in block 60
Block first atom: 491
Blocpdb> 6 atoms in block 61
Block first atom: 499
Blocpdb> 7 atoms in block 62
Block first atom: 505
Blocpdb> 8 atoms in block 63
Block first atom: 512
Blocpdb> 6 atoms in block 64
Block first atom: 520
Blocpdb> 8 atoms in block 65
Block first atom: 526
Blocpdb> 9 atoms in block 66
Block first atom: 534
Blocpdb> 8 atoms in block 67
Block first atom: 543
Blocpdb> 7 atoms in block 68
Block first atom: 551
Blocpdb> 9 atoms in block 69
Block first atom: 558
Blocpdb> 11 atoms in block 70
Block first atom: 567
Blocpdb> 9 atoms in block 71
Block first atom: 578
Blocpdb> 9 atoms in block 72
Block first atom: 587
Blocpdb> 7 atoms in block 73
Block first atom: 596
Blocpdb> 8 atoms in block 74
Block first atom: 603
Blocpdb> 6 atoms in block 75
Block first atom: 611
Blocpdb> 10 atoms in block 76
Block first atom: 617
Blocpdb> 4 atoms in block 77
Block first atom: 627
Blocpdb> 10 atoms in block 78
Block first atom: 631
Blocpdb> 8 atoms in block 79
Block first atom: 641
Blocpdb> 8 atoms in block 80
Block first atom: 649
Blocpdb> 8 atoms in block 81
Block first atom: 657
Blocpdb> 12 atoms in block 82
Block first atom: 665
Blocpdb> 6 atoms in block 83
Block first atom: 677
Blocpdb> 11 atoms in block 84
Block first atom: 683
Blocpdb> 6 atoms in block 85
Block first atom: 694
Blocpdb> 11 atoms in block 86
Block first atom: 700
Blocpdb> 5 atoms in block 87
Block first atom: 711
Blocpdb> 8 atoms in block 88
Block first atom: 716
Blocpdb> 9 atoms in block 89
Block first atom: 724
Blocpdb> 4 atoms in block 90
Block first atom: 733
Blocpdb> 9 atoms in block 91
Block first atom: 737
Blocpdb> 7 atoms in block 92
Block first atom: 746
Blocpdb> 7 atoms in block 93
Block first atom: 753
Blocpdb> 8 atoms in block 94
Block first atom: 760
Blocpdb> 7 atoms in block 95
Block first atom: 768
Blocpdb> 6 atoms in block 96
Block first atom: 775
Blocpdb> 8 atoms in block 97
Block first atom: 781
Blocpdb> 7 atoms in block 98
Block first atom: 789
Blocpdb> 11 atoms in block 99
Block first atom: 796
Blocpdb> 6 atoms in block 100
Block first atom: 807
Blocpdb> 11 atoms in block 101
Block first atom: 813
Blocpdb> 9 atoms in block 102
Block first atom: 824
Blocpdb> 4 atoms in block 103
Block first atom: 833
Blocpdb> 8 atoms in block 104
Block first atom: 837
Blocpdb> 8 atoms in block 105
Block first atom: 845
Blocpdb> 11 atoms in block 106
Block first atom: 853
Blocpdb> 7 atoms in block 107
Block first atom: 864
Blocpdb> 9 atoms in block 108
Block first atom: 871
Blocpdb> 4 atoms in block 109
Block first atom: 880
Blocpdb> 10 atoms in block 110
Block first atom: 884
Blocpdb> 12 atoms in block 111
Block first atom: 894
Blocpdb> 11 atoms in block 112
Block first atom: 906
Blocpdb> 6 atoms in block 113
Block first atom: 917
Blocpdb> 7 atoms in block 114
Block first atom: 923
Blocpdb> 5 atoms in block 115
Block first atom: 930
Blocpdb> 9 atoms in block 116
Block first atom: 935
Blocpdb> 5 atoms in block 117
Block first atom: 944
Blocpdb> 8 atoms in block 118
Block first atom: 949
Blocpdb> 5 atoms in block 119
Block first atom: 957
Blocpdb> 4 atoms in block 120
Block first atom: 962
Blocpdb> 8 atoms in block 121
Block first atom: 966
Blocpdb> 7 atoms in block 122
Block first atom: 974
Blocpdb> 9 atoms in block 123
Block first atom: 981
Blocpdb> 9 atoms in block 124
Block first atom: 990
Blocpdb> 9 atoms in block 125
Block first atom: 999
Blocpdb> 8 atoms in block 126
Block first atom: 1008
Blocpdb> 11 atoms in block 127
Block first atom: 1016
Blocpdb> 6 atoms in block 128
Block first atom: 1027
Blocpdb> 8 atoms in block 129
Block first atom: 1033
Blocpdb> 8 atoms in block 130
Block first atom: 1041
Blocpdb> 11 atoms in block 131
Block first atom: 1049
Blocpdb> 7 atoms in block 132
Block first atom: 1060
Blocpdb> 8 atoms in block 133
Block first atom: 1067
Blocpdb> 8 atoms in block 134
Block first atom: 1075
Blocpdb> 11 atoms in block 135
Block first atom: 1082
Blocpdb> 135 blocks.
Blocpdb> At most, 14 atoms in each of them.
Blocpdb> At least, 4 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> 363734 matrix lines read.
Prepmat> Matrix order = 3279
Prepmat> Matrix trace = 793580.0000
Prepmat> Last element read: 3279 3279 188.1138
Prepmat> 9181 lines saved.
Prepmat> 7715 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: 1093
RTB> Total mass = 1093.0000
RTB> Number of atoms found in matrix: 1093
RTB> Number of blocks = 135
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 181002.4679
RTB> 50715 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 = 810
Diagstd> Nb of non-zero elements: 50715
Diagstd> Projected matrix trace = 181002.4679
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 810 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 181002.4679
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 2.1107701 2.8153837 6.1164823 6.5119810
7.5798399 8.8943161 9.2734490 9.8074334 10.9181329
11.8303501 13.3714045 15.0578022 15.4913524 16.8529696
18.2350037 18.3580033 19.4541194 19.9350904 20.3230805
21.2031565 22.1569370 22.7274004 23.2288078 25.8980352
26.4506360 27.3602525 28.0901615 28.7385983 29.7468961
30.0555068 31.2468797 31.4285828 33.1728365 34.0989431
35.5248285 37.5641678 38.2797893 39.1710435 39.7290621
40.7524233 40.9616693 41.4772035 43.0761462 44.3900445
44.9529661 46.0844367 47.3852301 47.8548120 47.9828596
48.4102506 49.9934527 50.8451307 52.0765785 53.9825807
54.9143776 55.3285404 57.5023478 57.9628009 58.9849495
59.8916158 60.0215390 60.5460855 61.7683852 62.4715614
62.9431220 64.4312525 65.1279350 65.1932170 66.8733444
67.7821794 68.3282448 69.3641978 70.1467773 70.7491141
71.4571565 72.3748081 72.8387422 73.3938896 74.4207144
75.2209124 76.3577489 76.9332674 78.2589807 78.3047910
79.1484732 80.3634283 80.8571650 81.4601888 82.6100854
83.8623788 84.5285328 84.8226732 85.2805275 85.5883666
86.3714295 86.9897616 88.0879434 88.5015198 89.8855316
90.0998138
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034315 0.0034324 0.0034335 0.0034335 0.0034339
0.0034341 157.7668485 182.2065896 268.5629763 277.1097721
298.9684055 323.8557115 330.6860886 340.0736361 358.8140736
373.5029869 397.0852856 421.3820911 427.4053429 445.7932611
463.7118646 465.2731616 478.9620116 484.8466346 489.5421026
500.0293991 511.1520906 517.6904601 523.3698988 552.6226594
558.4873487 568.0091488 575.5358731 582.1408442 592.2650547
595.3293689 607.0138605 608.7762194 625.4413411 634.1116607
647.2339286 665.5522661 671.8619550 679.6383091 684.4621493
693.2214613 694.9988787 699.3587515 712.7113929 723.4992255
728.0722132 737.1780951 747.5096050 751.2043385 752.2086853
755.5512798 767.8066090 774.3190861 783.6398295 797.8515658
804.7079896 807.7368323 823.4515835 826.7419253 833.9996843
840.3850063 841.2960382 844.9642124 853.4506314 858.2947588
861.5280470 871.6528754 876.3527108 876.7918136 888.0180673
894.0319606 897.6259773 904.4050199 909.4925415 913.3890131
917.9481382 923.8234730 926.7796712 930.3047369 936.7898955
941.8127789 948.9030412 952.4723322 960.6437770 960.9249007
966.0876959 973.4743392 976.4601754 980.0945775 986.9878715
994.4406505 998.3824672 1000.1180327 1002.8136094 1004.6219186
1009.2071855 1012.8131945 1019.1861556 1021.5759134 1029.5327729
1030.7592172
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1093
Rtb_to_modes> Number of blocs = 135
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: 9.9856E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9909E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9971E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.111
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.815
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.116
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.512
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 7.580
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.894
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.273
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 9.807
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 10.92
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 11.83
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 13.37
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 15.06
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 15.49
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 16.85
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 18.24
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 18.36
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 19.45
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.94
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 20.32
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 21.20
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.16
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 22.73
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.23
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 25.90
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 26.45
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 27.36
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 28.09
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 28.74
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 29.75
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 30.06
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 31.25
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 31.43
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 33.17
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 34.10
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 35.52
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 37.56
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 38.28
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 39.17
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 39.73
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 40.75
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 40.96
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 41.48
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 43.08
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 44.39
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 44.95
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 46.08
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 47.39
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 47.85
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 47.98
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 48.41
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 49.99
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 50.85
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 52.08
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 53.98
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 54.91
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 55.33
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 57.50
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 57.96
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 58.98
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 59.89
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 60.02
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 60.55
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 61.77
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 62.47
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 62.94
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 64.43
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 65.13
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 65.19
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 66.87
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 67.78
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 68.33
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 69.36
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 70.15
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 70.75
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 71.46
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 72.37
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 72.84
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 73.39
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 74.42
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 75.22
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 76.36
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 76.93
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 78.26
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 78.30
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 79.15
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 80.36
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 80.86
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 81.46
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 82.61
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 83.86
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 84.53
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 84.82
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 85.28
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 85.59
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 86.37
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 86.99
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 88.09
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 88.50
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 89.89
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 90.10
Rtb_to_modes> 106 vectors, with 810 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 0.99999 0.99997 1.00000
1.00000 1.00002 1.00000 1.00000 0.99998
1.00000 1.00002 1.00000 0.99998 1.00000
1.00001 1.00000 0.99998 1.00001 0.99999
0.99999 0.99999 1.00004 1.00000 0.99996
0.99999 1.00003 1.00000 1.00001 0.99998
0.99999 0.99998 1.00003 0.99998 0.99999
1.00000 1.00000 1.00000 1.00001 0.99997
1.00003 0.99999 1.00001 1.00000 0.99999
1.00000 0.99998 0.99997 1.00000 0.99999
1.00003 0.99998 0.99997 1.00000 1.00001
0.99998 1.00000 0.99999 0.99998 1.00000
1.00000 1.00000 0.99999 0.99998 1.00002
0.99999 0.99999 1.00000 1.00000 1.00002
0.99999 0.99999 0.99998 1.00001 0.99998
0.99998 1.00000 1.00001 1.00000 1.00002
1.00002 1.00001 1.00002 1.00001 1.00001
1.00000 1.00001 1.00000 0.99999 0.99998
1.00003 0.99999 0.99997 0.99998 1.00003
0.99999 0.99999 1.00004 0.99998 1.00001
1.00002 0.99999 1.00000 1.00000 1.00000
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 19674 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 0.99999 0.99997 1.00000
1.00000 1.00002 1.00000 1.00000 0.99998
1.00000 1.00002 1.00000 0.99998 1.00000
1.00001 1.00000 0.99998 1.00001 0.99999
0.99999 0.99999 1.00004 1.00000 0.99996
0.99999 1.00003 1.00000 1.00001 0.99998
0.99999 0.99998 1.00003 0.99998 0.99999
1.00000 1.00000 1.00000 1.00001 0.99997
1.00003 0.99999 1.00001 1.00000 0.99999
1.00000 0.99998 0.99997 1.00000 0.99999
1.00003 0.99998 0.99997 1.00000 1.00001
0.99998 1.00000 0.99999 0.99998 1.00000
1.00000 1.00000 0.99999 0.99998 1.00002
0.99999 0.99999 1.00000 1.00000 1.00002
0.99999 0.99999 0.99998 1.00001 0.99998
0.99998 1.00000 1.00001 1.00000 1.00002
1.00002 1.00001 1.00002 1.00001 1.00001
1.00000 1.00001 1.00000 0.99999 0.99998
1.00003 0.99999 0.99997 0.99998 1.00003
0.99999 0.99999 1.00004 0.99998 1.00001
1.00002 0.99999 1.00000 1.00000 1.00000
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> 2404022108342089814.eigenfacs
Openam> file on opening on unit 10:
2404022108342089814.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404022108342089814.atom
Openam> file on opening on unit 11:
2404022108342089814.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 = 135
First residue number = 21
Last residue number = 155
Number of atoms found = 1093
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9856E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9909E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 7.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.894
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.273
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 10.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 11.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 15.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 16.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 18.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 19.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 20.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 21.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 22.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 25.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 26.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 27.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 28.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 28.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 29.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 30.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 31.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 31.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 33.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 34.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 35.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 37.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 38.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 39.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 39.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 40.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 40.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 41.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 43.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 44.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 44.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 46.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 47.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 47.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 47.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 48.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 49.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 50.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 52.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 53.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 54.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 55.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 57.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 57.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 58.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 59.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 60.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 60.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 61.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 62.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 62.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 64.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 65.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 65.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 66.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 67.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 68.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 69.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 70.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 70.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 71.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 72.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 72.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 73.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 74.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 75.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 76.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 76.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 78.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 78.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 79.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 80.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 80.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 81.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 82.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 83.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 84.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 84.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 85.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 85.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 86.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 86.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 88.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 88.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 89.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 90.10
Bfactors> 106 vectors, 3279 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 2.111000
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= 0.370 for 135 C-alpha atoms.
Bfactors> = 0.040 +/- 0.03
Bfactors> = 28.516 +/- 9.90
Bfactors> Shiftng-fct= 28.476
Bfactors> Scaling-fct= 340.431
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404022108342089814 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=0
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=100
2404022108342089814.eigenfacs
2404022108342089814.atom
making animated gifs
11 models are in 2404022108342089814.7.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 2404022108342089814.7.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 2404022108342089814.7.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 2404022108342089814 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=0
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=100
2404022108342089814.eigenfacs
2404022108342089814.atom
making animated gifs
11 models are in 2404022108342089814.8.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 2404022108342089814.8.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 2404022108342089814.8.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 2404022108342089814 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=0
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=100
2404022108342089814.eigenfacs
2404022108342089814.atom
making animated gifs
11 models are in 2404022108342089814.9.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 2404022108342089814.9.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 2404022108342089814.9.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 2404022108342089814 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=0
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=100
2404022108342089814.eigenfacs
2404022108342089814.atom
making animated gifs
11 models are in 2404022108342089814.10.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 2404022108342089814.10.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 2404022108342089814.10.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 2404022108342089814 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=-20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=0
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=20
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=40
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=60
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=80
2404022108342089814.eigenfacs
2404022108342089814.atom
calculating perturbed structure for DQ=100
2404022108342089814.eigenfacs
2404022108342089814.atom
making animated gifs
11 models are in 2404022108342089814.11.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 2404022108342089814.11.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 2404022108342089814.11.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
2404022108342089814.10.pdb
2404022108342089814.11.pdb
2404022108342089814.7.pdb
2404022108342089814.8.pdb
2404022108342089814.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.738s
user 0m7.714s
sys 0m0.024s
../../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: 2404022108342089814.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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