*** 1bkz_monomerB ***
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 = 240416191010734120.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 240416191010734120.atom to be opened.
Openam> File opened: 240416191010734120.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 = 1
Last residue number = 135
Number of atoms found = 1058
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 14.241832 +/- 8.794166 From: -5.081000 To: 35.533000
= 45.382987 +/- 7.324485 From: 27.347000 To: 62.061000
= 44.715094 +/- 7.946181 From: 23.024000 To: 64.180000
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 7.3580 % Filled.
Pdbmat> 370747 non-zero elements.
Pdbmat> 40496 atom-atom interactions.
Pdbmat> Number per atom= 76.55 +/- 23.32
Maximum number = 125
Minimum number = 14
Pdbmat> Matrix trace = 809920.
Pdbmat> Larger element = 473.229
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 = 240416191010734120.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 240416191010734120.atom to be opened.
Openam> file on opening on unit 11:
240416191010734120.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1058 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> 6 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 7
Blocpdb> 7 atoms in block 3
Block first atom: 15
Blocpdb> 7 atoms in block 4
Block first atom: 22
Blocpdb> 10 atoms in block 5
Block first atom: 29
Blocpdb> 9 atoms in block 6
Block first atom: 39
Blocpdb> 6 atoms in block 7
Block first atom: 48
Blocpdb> 6 atoms in block 8
Block first atom: 54
Blocpdb> 8 atoms in block 9
Block first atom: 60
Blocpdb> 7 atoms in block 10
Block first atom: 68
Blocpdb> 9 atoms in block 11
Block first atom: 75
Blocpdb> 4 atoms in block 12
Block first atom: 84
Blocpdb> 8 atoms in block 13
Block first atom: 88
Blocpdb> 11 atoms in block 14
Block first atom: 96
Blocpdb> 7 atoms in block 15
Block first atom: 107
Blocpdb> 4 atoms in block 16
Block first atom: 114
Blocpdb> 7 atoms in block 17
Block first atom: 118
Blocpdb> 7 atoms in block 18
Block first atom: 125
Blocpdb> 8 atoms in block 19
Block first atom: 132
Blocpdb> 11 atoms in block 20
Block first atom: 140
Blocpdb> 8 atoms in block 21
Block first atom: 151
Blocpdb> 11 atoms in block 22
Block first atom: 159
Blocpdb> 4 atoms in block 23
Block first atom: 170
Blocpdb> 8 atoms in block 24
Block first atom: 174
Blocpdb> 7 atoms in block 25
Block first atom: 182
Blocpdb> 7 atoms in block 26
Block first atom: 189
Blocpdb> 7 atoms in block 27
Block first atom: 196
Blocpdb> 8 atoms in block 28
Block first atom: 203
Blocpdb> 5 atoms in block 29
Block first atom: 211
Blocpdb> 6 atoms in block 30
Block first atom: 216
Blocpdb> 11 atoms in block 31
Block first atom: 222
Blocpdb> 11 atoms in block 32
Block first atom: 233
Blocpdb> 10 atoms in block 33
Block first atom: 244
Blocpdb> 7 atoms in block 34
Block first atom: 254
Blocpdb> 8 atoms in block 35
Block first atom: 261
Blocpdb> 8 atoms in block 36
Block first atom: 269
Blocpdb> 8 atoms in block 37
Block first atom: 277
Blocpdb> 6 atoms in block 38
Block first atom: 285
Blocpdb> 4 atoms in block 39
Block first atom: 291
Blocpdb> 9 atoms in block 40
Block first atom: 295
Blocpdb> 9 atoms in block 41
Block first atom: 304
Blocpdb> 9 atoms in block 42
Block first atom: 313
Blocpdb> 4 atoms in block 43
Block first atom: 322
Blocpdb> 6 atoms in block 44
Block first atom: 326
Blocpdb> 8 atoms in block 45
Block first atom: 332
Blocpdb> 5 atoms in block 46
Block first atom: 340
Blocpdb> 5 atoms in block 47
Block first atom: 345
Blocpdb> 8 atoms in block 48
Block first atom: 350
Blocpdb> 10 atoms in block 49
Block first atom: 358
Blocpdb> 11 atoms in block 50
Block first atom: 368
Blocpdb> 8 atoms in block 51
Block first atom: 379
Blocpdb> 7 atoms in block 52
Block first atom: 387
Blocpdb> 11 atoms in block 53
Block first atom: 394
Blocpdb> 8 atoms in block 54
Block first atom: 405
Blocpdb> 8 atoms in block 55
Block first atom: 413
Blocpdb> 7 atoms in block 56
Block first atom: 421
Blocpdb> 6 atoms in block 57
Block first atom: 428
Blocpdb> 9 atoms in block 58
Block first atom: 434
Blocpdb> 7 atoms in block 59
Block first atom: 443
Blocpdb> 7 atoms in block 60
Block first atom: 450
Blocpdb> 11 atoms in block 61
Block first atom: 457
Blocpdb> 8 atoms in block 62
Block first atom: 468
Blocpdb> 6 atoms in block 63
Block first atom: 476
Blocpdb> 9 atoms in block 64
Block first atom: 482
Blocpdb> 9 atoms in block 65
Block first atom: 491
Blocpdb> 9 atoms in block 66
Block first atom: 500
Blocpdb> 4 atoms in block 67
Block first atom: 509
Blocpdb> 6 atoms in block 68
Block first atom: 513
Blocpdb> 14 atoms in block 69
Block first atom: 519
Blocpdb> 4 atoms in block 70
Block first atom: 533
Blocpdb> 11 atoms in block 71
Block first atom: 537
Blocpdb> 9 atoms in block 72
Block first atom: 548
Blocpdb> 9 atoms in block 73
Block first atom: 557
Blocpdb> 11 atoms in block 74
Block first atom: 566
Blocpdb> 4 atoms in block 75
Block first atom: 577
Blocpdb> 7 atoms in block 76
Block first atom: 581
Blocpdb> 4 atoms in block 77
Block first atom: 588
Blocpdb> 7 atoms in block 78
Block first atom: 592
Blocpdb> 7 atoms in block 79
Block first atom: 599
Blocpdb> 11 atoms in block 80
Block first atom: 606
Blocpdb> 9 atoms in block 81
Block first atom: 617
Blocpdb> 11 atoms in block 82
Block first atom: 626
Blocpdb> 4 atoms in block 83
Block first atom: 637
Blocpdb> 9 atoms in block 84
Block first atom: 641
Blocpdb> 7 atoms in block 85
Block first atom: 650
Blocpdb> 11 atoms in block 86
Block first atom: 657
Blocpdb> 9 atoms in block 87
Block first atom: 668
Blocpdb> 7 atoms in block 88
Block first atom: 677
Blocpdb> 8 atoms in block 89
Block first atom: 684
Blocpdb> 8 atoms in block 90
Block first atom: 692
Blocpdb> 8 atoms in block 91
Block first atom: 700
Blocpdb> 5 atoms in block 92
Block first atom: 708
Blocpdb> 6 atoms in block 93
Block first atom: 713
Blocpdb> 8 atoms in block 94
Block first atom: 719
Blocpdb> 8 atoms in block 95
Block first atom: 727
Blocpdb> 4 atoms in block 96
Block first atom: 735
Blocpdb> 11 atoms in block 97
Block first atom: 739
Blocpdb> 9 atoms in block 98
Block first atom: 750
Blocpdb> 5 atoms in block 99
Block first atom: 759
Blocpdb> 7 atoms in block 100
Block first atom: 764
Blocpdb> 7 atoms in block 101
Block first atom: 771
Blocpdb> 4 atoms in block 102
Block first atom: 778
Blocpdb> 8 atoms in block 103
Block first atom: 782
Blocpdb> 5 atoms in block 104
Block first atom: 790
Blocpdb> 9 atoms in block 105
Block first atom: 795
Blocpdb> 12 atoms in block 106
Block first atom: 804
Blocpdb> 10 atoms in block 107
Block first atom: 816
Blocpdb> 10 atoms in block 108
Block first atom: 826
Blocpdb> 11 atoms in block 109
Block first atom: 836
Blocpdb> 11 atoms in block 110
Block first atom: 847
Blocpdb> 10 atoms in block 111
Block first atom: 858
Blocpdb> 11 atoms in block 112
Block first atom: 868
Blocpdb> 8 atoms in block 113
Block first atom: 879
Blocpdb> 7 atoms in block 114
Block first atom: 887
Blocpdb> 8 atoms in block 115
Block first atom: 894
Blocpdb> 5 atoms in block 116
Block first atom: 902
Blocpdb> 11 atoms in block 117
Block first atom: 907
Blocpdb> 7 atoms in block 118
Block first atom: 918
Blocpdb> 11 atoms in block 119
Block first atom: 925
Blocpdb> 8 atoms in block 120
Block first atom: 936
Blocpdb> 7 atoms in block 121
Block first atom: 944
Blocpdb> 9 atoms in block 122
Block first atom: 951
Blocpdb> 7 atoms in block 123
Block first atom: 960
Blocpdb> 4 atoms in block 124
Block first atom: 967
Blocpdb> 4 atoms in block 125
Block first atom: 971
Blocpdb> 8 atoms in block 126
Block first atom: 975
Blocpdb> 7 atoms in block 127
Block first atom: 983
Blocpdb> 9 atoms in block 128
Block first atom: 990
Blocpdb> 8 atoms in block 129
Block first atom: 999
Blocpdb> 8 atoms in block 130
Block first atom: 1007
Blocpdb> 6 atoms in block 131
Block first atom: 1015
Blocpdb> 7 atoms in block 132
Block first atom: 1021
Blocpdb> 11 atoms in block 133
Block first atom: 1028
Blocpdb> 8 atoms in block 134
Block first atom: 1039
Blocpdb> 12 atoms in block 135
Block first atom: 1046
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> 370882 matrix lines read.
Prepmat> Matrix order = 3174
Prepmat> Matrix trace = 809920.0000
Prepmat> Last element read: 3174 3174 71.0831
Prepmat> 9181 lines saved.
Prepmat> 7552 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: 1058
RTB> Total mass = 1058.0000
RTB> Number of atoms found in matrix: 1058
RTB> Number of blocks = 135
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 190278.2586
RTB> 56583 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: 56583
Diagstd> Projected matrix trace = 190278.2586
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 = 190278.2586
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 4.6356388 5.9762290 6.4849869 7.8708952
9.7527751 12.1863002 12.8861338 13.4058518 14.7478085
17.5151220 17.9310827 18.7433619 19.2493697 21.2702876
22.3721316 22.7759672 23.3527600 24.2146829 24.3956117
24.9209293 26.1014657 27.0478030 27.5196697 28.3521058
28.8423799 29.3627309 31.3098365 31.7799117 33.9269023
35.3725071 37.3550877 37.9727841 38.8726795 39.7546401
39.8243537 41.1828702 41.5450777 43.3189413 45.1416844
46.6381952 47.3409571 47.9193513 48.1838071 48.7218640
49.2563521 50.0265490 51.8914412 52.4644468 53.2028487
53.2386995 54.3579126 55.7570909 56.4955600 57.2632132
58.4024244 60.0525877 60.5678315 61.5740747 62.0587403
63.8704147 64.8338669 65.2583565 66.1694485 66.4981400
66.6247797 67.6776291 69.8255587 70.6705669 70.8507383
71.7583469 72.2552409 73.1701055 74.0492343 75.1798210
75.7404752 76.5272780 76.8030023 78.1448467 79.0387906
79.6513498 80.3820028 82.2260755 83.2069263 84.0795606
84.6941566 85.8986718 86.3089144 87.4482360 88.6588880
88.9308800 90.4464577 91.5377237 92.0454173 92.9490753
93.2958446 94.2136193 95.0842183 95.2936927 96.6762808
96.9846864
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034319 0.0034327 0.0034335 0.0034335 0.0034342
0.0034349 233.8029985 265.4659947 276.5348252 304.6543235
339.1246712 379.0803000 389.8132511 397.5964396 417.0220557
454.4664876 459.8313080 470.1311480 476.4348668 500.8203427
513.6283211 518.2432978 524.7644285 534.3609012 536.3535215
542.0974900 554.7888545 564.7565510 569.6615258 578.2131184
583.1910181 588.4282342 607.6250642 612.1694086 632.5099828
645.8448510 663.6974675 669.1623538 677.0449751 684.6824459
685.2825115 696.8729155 699.9307409 714.7171398 729.5988832
741.5938985 747.1603162 751.7107231 753.7821273 757.9790949
762.1253417 768.0607158 782.2456316 786.5527058 792.0684664
792.3352900 800.6204259 810.8589852 816.2109918 821.7375583
829.8712478 841.5136080 845.1159391 852.1071854 855.4541905
867.8509600 874.3720018 877.2297391 883.3321510 885.5233743
886.3661730 893.3421971 907.4077618 912.8818404 914.0447747
919.8806704 923.0600539 928.8853660 934.4489197 941.5554987
945.0598067 949.9558324 951.6656174 959.9430135 965.4180701
969.1518970 973.5868332 984.6912108 990.5468467 995.7274892
999.3600953 1006.4414266 1008.8418906 1015.4786734 1022.4837632
1024.0509746 1032.7401501 1038.9516438 1041.8288170 1046.9304155
1048.8815127 1054.0279421 1058.8867173 1060.0524608 1067.7147624
1069.4164573
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1058
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: 9.9882E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9924E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.636
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.976
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.485
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.871
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.753
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 12.19
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 12.89
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 13.41
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 14.75
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 17.52
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 17.93
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 18.74
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 19.25
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 21.27
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 22.37
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 22.78
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 23.35
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 24.21
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 24.40
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 24.92
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 26.10
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 27.05
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 27.52
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 28.35
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 28.84
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 29.36
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 31.31
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 31.78
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 33.93
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 35.37
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 37.36
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 37.97
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 38.87
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 39.75
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 39.82
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 41.18
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 41.55
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 43.32
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 45.14
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 46.64
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 47.34
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 47.92
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 48.18
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 48.72
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 49.26
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 50.03
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 51.89
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 52.46
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 53.20
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 53.24
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 54.36
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 55.76
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 56.50
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 57.26
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 58.40
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 60.05
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 60.57
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 61.57
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 62.06
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 63.87
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 64.83
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 65.26
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 66.17
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 66.50
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 66.62
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 67.68
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 69.83
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 70.67
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 70.85
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 71.76
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 72.26
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 73.17
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 74.05
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 75.18
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 75.74
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 76.53
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 76.80
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 78.14
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 79.04
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 79.65
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 80.38
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 82.23
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 83.21
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 84.08
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 84.69
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 85.90
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 86.31
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 87.45
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 88.66
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 88.93
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 90.45
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 91.54
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 92.05
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 92.95
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 93.30
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 94.21
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 95.08
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 95.29
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 96.68
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 96.98
Rtb_to_modes> 106 vectors, with 810 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 0.99998 1.00000
1.00000 1.00000 0.99998 0.99996 0.99998
1.00002 1.00004 1.00000 0.99996 0.99997
1.00004 1.00000 1.00000 0.99998 1.00003
0.99998 1.00003 1.00001 0.99997 1.00000
1.00004 1.00003 0.99999 1.00001 1.00000
0.99999 0.99998 0.99999 0.99998 0.99999
1.00002 0.99999 0.99998 1.00000 1.00002
1.00002 1.00000 1.00003 1.00000 1.00004
1.00002 0.99995 1.00000 1.00000 1.00000
1.00002 0.99999 0.99998 1.00000 1.00001
0.99997 1.00001 0.99998 0.99999 1.00000
0.99999 1.00003 1.00002 0.99996 1.00000
0.99999 0.99998 0.99997 0.99999 1.00001
1.00000 0.99997 1.00002 1.00004 1.00003
0.99998 1.00002 0.99999 1.00001 0.99997
1.00000 1.00000 1.00001 1.00000 1.00000
0.99999 0.99998 1.00001 0.99998 1.00001
1.00006 1.00000 0.99998 0.99998 1.00004
1.00001 0.99999 0.99998 1.00003 1.00002
0.99999 0.99996 0.99998 0.99999 0.99998
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 19044 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 0.99998 1.00000
1.00000 1.00000 0.99998 0.99996 0.99998
1.00002 1.00004 1.00000 0.99996 0.99997
1.00004 1.00000 1.00000 0.99998 1.00003
0.99998 1.00003 1.00001 0.99997 1.00000
1.00004 1.00003 0.99999 1.00001 1.00000
0.99999 0.99998 0.99999 0.99998 0.99999
1.00002 0.99999 0.99998 1.00000 1.00002
1.00002 1.00000 1.00003 1.00000 1.00004
1.00002 0.99995 1.00000 1.00000 1.00000
1.00002 0.99999 0.99998 1.00000 1.00001
0.99997 1.00001 0.99998 0.99999 1.00000
0.99999 1.00003 1.00002 0.99996 1.00000
0.99999 0.99998 0.99997 0.99999 1.00001
1.00000 0.99997 1.00002 1.00004 1.00003
0.99998 1.00002 0.99999 1.00001 0.99997
1.00000 1.00000 1.00001 1.00000 1.00000
0.99999 0.99998 1.00001 0.99998 1.00001
1.00006 1.00000 0.99998 0.99998 1.00004
1.00001 0.99999 0.99998 1.00003 1.00002
0.99999 0.99996 0.99998 0.99999 0.99998
1.00002
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4: 0.000 0.000 0.000
Vector 5:-0.000-0.000 0.000-0.000
Vector 6:-0.000-0.000 0.000-0.000 0.000
Vector 7: 0.000 0.000 0.000-0.000-0.000-0.000
Vector 8: 0.000 0.000-0.000 0.000-0.000-0.000 0.000
Vector 9:-0.000-0.000-0.000-0.000-0.000-0.000 0.000-0.000
Vector 10:-0.000 0.000 0.000-0.000 0.000-0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240416191010734120.eigenfacs
Openam> file on opening on unit 10:
240416191010734120.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240416191010734120.atom
Openam> file on opening on unit 11:
240416191010734120.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 = 1
Last residue number = 135
Number of atoms found = 1058
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: 9.9882E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9924E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.485
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 12.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 12.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 13.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 17.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 18.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 19.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 21.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 22.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 22.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 23.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 24.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 24.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 24.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 26.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 27.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 27.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 28.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 28.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 29.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 31.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 31.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 33.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 35.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 37.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 37.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 38.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 39.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 39.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 41.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 41.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 43.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 45.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 46.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 47.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 47.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 48.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 48.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 49.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 50.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 51.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 52.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 53.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 53.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 54.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 55.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 56.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 57.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 58.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 60.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 60.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 61.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 62.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 63.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 64.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 65.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 66.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 66.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 66.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 67.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 69.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 70.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 70.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 71.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 72.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 73.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 74.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 75.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 75.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 76.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 76.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 78.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 79.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 79.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 80.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 82.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 83.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 84.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 84.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 85.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 86.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 87.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 88.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 88.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 90.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 91.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 92.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 92.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 93.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 94.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 95.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 95.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 96.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 96.98
Bfactors> 106 vectors, 3174 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 : 4.636000
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= 0.670 for 135 C-alpha atoms.
Bfactors> = 0.033 +/- 0.05
Bfactors> = 38.040 +/- 10.65
Bfactors> Shiftng-fct= 38.007
Bfactors> Scaling-fct= 194.676
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240416191010734120 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=0
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=100
240416191010734120.eigenfacs
240416191010734120.atom
making animated gifs
11 models are in 240416191010734120.7.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 240416191010734120.7.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 240416191010734120.7.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 240416191010734120 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=0
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=100
240416191010734120.eigenfacs
240416191010734120.atom
making animated gifs
11 models are in 240416191010734120.8.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 240416191010734120.8.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 240416191010734120.8.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 240416191010734120 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=0
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=100
240416191010734120.eigenfacs
240416191010734120.atom
making animated gifs
11 models are in 240416191010734120.9.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 240416191010734120.9.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 240416191010734120.9.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 240416191010734120 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=0
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=100
240416191010734120.eigenfacs
240416191010734120.atom
making animated gifs
11 models are in 240416191010734120.10.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 240416191010734120.10.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 240416191010734120.10.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 240416191010734120 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=-20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=0
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=20
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=40
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=60
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=80
240416191010734120.eigenfacs
240416191010734120.atom
calculating perturbed structure for DQ=100
240416191010734120.eigenfacs
240416191010734120.atom
making animated gifs
11 models are in 240416191010734120.11.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 240416191010734120.11.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 240416191010734120.11.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
240416191010734120.10.pdb
240416191010734120.11.pdb
240416191010734120.7.pdb
240416191010734120.8.pdb
240416191010734120.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.829s
user 0m7.821s
sys 0m0.008s
../../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: 240416191010734120.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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