***  ERCC!  ***
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 = 240222075232363857.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 240222075232363857.atom to be opened.
Openam> File opened: 240222075232363857.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 = 129
First residue number = 99
Last residue number = 227
Number of atoms found = 1039
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 24.418037 +/- 7.653235 From: 6.667000 To: 39.965000
= 34.003221 +/- 8.801427 From: 16.863000 To: 62.432000
= 20.946008 +/- 10.511978 From: -6.432000 To: 44.922000
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 7.1480 % Filled.
Pdbmat> 347351 non-zero elements.
Pdbmat> 37908 atom-atom interactions.
Pdbmat> Number per atom= 72.97 +/- 23.14
Maximum number = 121
Minimum number = 13
Pdbmat> Matrix trace = 758160.
Pdbmat> Larger element = 452.583
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
129 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 = 240222075232363857.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 240222075232363857.atom to be opened.
Openam> file on opening on unit 11:
240222075232363857.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1039 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> 129 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 6 atoms in block 2
Block first atom: 9
Blocpdb> 8 atoms in block 3
Block first atom: 15
Blocpdb> 8 atoms in block 4
Block first atom: 23
Blocpdb> 7 atoms in block 5
Block first atom: 31
Blocpdb> 6 atoms in block 6
Block first atom: 38
Blocpdb> 7 atoms in block 7
Block first atom: 44
Blocpdb> 11 atoms in block 8
Block first atom: 51
Blocpdb> 9 atoms in block 9
Block first atom: 62
Blocpdb> 11 atoms in block 10
Block first atom: 71
Blocpdb> 4 atoms in block 11
Block first atom: 82
Blocpdb> 8 atoms in block 12
Block first atom: 86
Blocpdb> 7 atoms in block 13
Block first atom: 94
Blocpdb> 7 atoms in block 14
Block first atom: 101
Blocpdb> 8 atoms in block 15
Block first atom: 108
Blocpdb> 9 atoms in block 16
Block first atom: 116
Blocpdb> 11 atoms in block 17
Block first atom: 125
Blocpdb> 7 atoms in block 18
Block first atom: 136
Blocpdb> 11 atoms in block 19
Block first atom: 143
Blocpdb> 8 atoms in block 20
Block first atom: 154
Blocpdb> 7 atoms in block 21
Block first atom: 162
Blocpdb> 7 atoms in block 22
Block first atom: 169
Blocpdb> 14 atoms in block 23
Block first atom: 176
Blocpdb> 9 atoms in block 24
Block first atom: 190
Blocpdb> 11 atoms in block 25
Block first atom: 199
Blocpdb> 4 atoms in block 26
Block first atom: 210
Blocpdb> 8 atoms in block 27
Block first atom: 214
Blocpdb> 7 atoms in block 28
Block first atom: 222
Blocpdb> 8 atoms in block 29
Block first atom: 229
Blocpdb> 7 atoms in block 30
Block first atom: 237
Blocpdb> 8 atoms in block 31
Block first atom: 244
Blocpdb> 12 atoms in block 32
Block first atom: 252
Blocpdb> 7 atoms in block 33
Block first atom: 264
Blocpdb> 8 atoms in block 34
Block first atom: 271
Blocpdb> 4 atoms in block 35
Block first atom: 279
Blocpdb> 9 atoms in block 36
Block first atom: 283
Blocpdb> 6 atoms in block 37
Block first atom: 292
Blocpdb> 7 atoms in block 38
Block first atom: 298
Blocpdb> 6 atoms in block 39
Block first atom: 305
Blocpdb> 5 atoms in block 40
Block first atom: 311
Blocpdb> 8 atoms in block 41
Block first atom: 316
Blocpdb> 11 atoms in block 42
Block first atom: 324
Blocpdb> 8 atoms in block 43
Block first atom: 335
Blocpdb> 6 atoms in block 44
Block first atom: 343
Blocpdb> 8 atoms in block 45
Block first atom: 349
Blocpdb> 11 atoms in block 46
Block first atom: 357
Blocpdb> 12 atoms in block 47
Block first atom: 368
Blocpdb> 10 atoms in block 48
Block first atom: 380
Blocpdb> 8 atoms in block 49
Block first atom: 390
Blocpdb> 8 atoms in block 50
Block first atom: 398
Blocpdb> 10 atoms in block 51
Block first atom: 406
Blocpdb> 7 atoms in block 52
Block first atom: 416
Blocpdb> 8 atoms in block 53
Block first atom: 423
Blocpdb> 12 atoms in block 54
Block first atom: 431
Blocpdb> 8 atoms in block 55
Block first atom: 443
Blocpdb> 10 atoms in block 56
Block first atom: 451
Blocpdb> 4 atoms in block 57
Block first atom: 461
Blocpdb> 11 atoms in block 58
Block first atom: 465
Blocpdb> 8 atoms in block 59
Block first atom: 476
Blocpdb> 9 atoms in block 60
Block first atom: 484
Blocpdb> 6 atoms in block 61
Block first atom: 493
Blocpdb> 8 atoms in block 62
Block first atom: 499
Blocpdb> 4 atoms in block 63
Block first atom: 507
Blocpdb> 9 atoms in block 64
Block first atom: 511
Blocpdb> 8 atoms in block 65
Block first atom: 520
Blocpdb> 11 atoms in block 66
Block first atom: 528
Blocpdb> 5 atoms in block 67
Block first atom: 539
Blocpdb> 8 atoms in block 68
Block first atom: 544
Blocpdb> 11 atoms in block 69
Block first atom: 552
Blocpdb> 7 atoms in block 70
Block first atom: 563
Blocpdb> 8 atoms in block 71
Block first atom: 570
Blocpdb> 8 atoms in block 72
Block first atom: 578
Blocpdb> 7 atoms in block 73
Block first atom: 586
Blocpdb> 9 atoms in block 74
Block first atom: 593
Blocpdb> 7 atoms in block 75
Block first atom: 602
Blocpdb> 8 atoms in block 76
Block first atom: 609
Blocpdb> 7 atoms in block 77
Block first atom: 617
Blocpdb> 9 atoms in block 78
Block first atom: 624
Blocpdb> 8 atoms in block 79
Block first atom: 633
Blocpdb> 7 atoms in block 80
Block first atom: 641
Blocpdb> 9 atoms in block 81
Block first atom: 648
Blocpdb> 9 atoms in block 82
Block first atom: 657
Blocpdb> 5 atoms in block 83
Block first atom: 666
Blocpdb> 8 atoms in block 84
Block first atom: 671
Blocpdb> 9 atoms in block 85
Block first atom: 679
Blocpdb> 9 atoms in block 86
Block first atom: 688
Blocpdb> 8 atoms in block 87
Block first atom: 697
Blocpdb> 5 atoms in block 88
Block first atom: 705
Blocpdb> 9 atoms in block 89
Block first atom: 710
Blocpdb> 8 atoms in block 90
Block first atom: 719
Blocpdb> 6 atoms in block 91
Block first atom: 727
Blocpdb> 8 atoms in block 92
Block first atom: 733
Blocpdb> 8 atoms in block 93
Block first atom: 741
Blocpdb> 5 atoms in block 94
Block first atom: 749
Blocpdb> 8 atoms in block 95
Block first atom: 754
Blocpdb> 6 atoms in block 96
Block first atom: 762
Blocpdb> 7 atoms in block 97
Block first atom: 768
Blocpdb> 8 atoms in block 98
Block first atom: 775
Blocpdb> 8 atoms in block 99
Block first atom: 783
Blocpdb> 8 atoms in block 100
Block first atom: 791
Blocpdb> 5 atoms in block 101
Block first atom: 799
Blocpdb> 14 atoms in block 102
Block first atom: 804
Blocpdb> 6 atoms in block 103
Block first atom: 818
Blocpdb> 7 atoms in block 104
Block first atom: 824
Blocpdb> 9 atoms in block 105
Block first atom: 831
Blocpdb> 9 atoms in block 106
Block first atom: 840
Blocpdb> 5 atoms in block 107
Block first atom: 849
Blocpdb> 4 atoms in block 108
Block first atom: 854
Blocpdb> 11 atoms in block 109
Block first atom: 858
Blocpdb> 12 atoms in block 110
Block first atom: 869
Blocpdb> 8 atoms in block 111
Block first atom: 881
Blocpdb> 9 atoms in block 112
Block first atom: 889
Blocpdb> 7 atoms in block 113
Block first atom: 898
Blocpdb> 12 atoms in block 114
Block first atom: 905
Blocpdb> 9 atoms in block 115
Block first atom: 917
Blocpdb> 5 atoms in block 116
Block first atom: 926
Blocpdb> 12 atoms in block 117
Block first atom: 931
Blocpdb> 9 atoms in block 118
Block first atom: 943
Blocpdb> 9 atoms in block 119
Block first atom: 952
Blocpdb> 9 atoms in block 120
Block first atom: 961
Blocpdb> 7 atoms in block 121
Block first atom: 970
Blocpdb> 5 atoms in block 122
Block first atom: 977
Blocpdb> 8 atoms in block 123
Block first atom: 982
Blocpdb> 8 atoms in block 124
Block first atom: 990
Blocpdb> 8 atoms in block 125
Block first atom: 998
Blocpdb> 8 atoms in block 126
Block first atom: 1006
Blocpdb> 9 atoms in block 127
Block first atom: 1014
Blocpdb> 9 atoms in block 128
Block first atom: 1023
Blocpdb> 8 atoms in block 129
Block first atom: 1031
Blocpdb> 129 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> 347480 matrix lines read.
Prepmat> Matrix order = 3117
Prepmat> Matrix trace = 758160.0000
Prepmat> Last element read: 3117 3117 99.3535
Prepmat> 8386 lines saved.
Prepmat> 6902 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: 1039
RTB> Total mass = 1039.0000
RTB> Number of atoms found in matrix: 1039
RTB> Number of blocks = 129
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 171797.0936
RTB> 51453 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 = 774
Diagstd> Nb of non-zero elements: 51453
Diagstd> Projected matrix trace = 171797.0936
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 774 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 171797.0936
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0690548 0.1389451 0.1935910 1.9478945
4.1042601 4.4036822 5.6853160 6.8170907 7.6212666
10.4255793 11.5620122 13.0896022 13.4108362 14.5075248
15.4135206 16.9150014 17.7559541 20.6257043 21.3626490
21.9233883 22.5038963 23.5433407 23.7643538 24.4565366
25.6761260 26.1780863 26.9307171 27.8592523 29.4937666
30.2463866 30.5776115 31.3651814 31.8583547 32.2026329
32.8487315 35.0555641 36.2790508 36.4909086 37.9402089
38.2321850 39.4200769 40.1182354 41.4659369 41.8445593
42.9485478 43.5915485 44.8545684 45.3351483 47.4935583
48.1764058 49.3228669 49.4859946 50.3105292 51.3739886
51.8035767 52.8533851 52.9042133 53.9848347 55.5102062
56.0317774 56.8959707 57.6301252 58.4021519 58.8456968
59.1912951 60.4303674 61.0779581 61.8050156 62.5345006
62.8255930 63.9732972 65.1853015 66.1564389 66.7502888
67.7248205 68.1607173 69.4591022 70.0554759 70.4725894
71.3263864 71.7915331 72.8208562 72.9198210 74.0695319
74.8865902 75.7714210 76.1794326 77.4807742 78.1811749
78.7328912 80.0036833 81.0899726 81.8185554 82.9897825
83.1761967 83.5674850 84.6876107 85.2830546 85.6498656
86.1057043
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034326 0.0034329 0.0034337 0.0034342 0.0034344
0.0034356 28.5359468 40.4778056 47.7790916 151.5576980
219.9949529 227.8784553 258.9241642 283.5272565 299.7842816
350.6270188 369.2427633 392.8787187 397.6703485 413.6108670
426.3303040 446.6129377 457.5802662 493.1734335 501.9065150
508.4510140 515.1386547 526.9013659 529.3687309 537.0228406
550.2499721 555.6025469 563.5328521 573.1654561 589.7397482
597.2168191 600.4779428 608.1618623 612.9244580 616.2273519
622.3785007 642.9449066 654.0685062 655.9754997 668.8752699
671.4440655 681.7953167 687.8063661 699.2637605 702.4489689
711.6550279 716.9624796 727.2749372 731.1606340 748.3635645
753.7242332 762.6397480 763.8998629 770.2376136 778.3356501
781.5830873 789.4628246 789.8423399 797.8682226 809.0618080
812.8538735 819.0983214 824.3659819 829.8693120 833.0146418
835.4571910 844.1563613 848.6674295 853.7036546 858.7270098
860.7233378 868.5496463 876.7385837 883.2453101 887.2006573
893.6536048 896.5249006 905.0235138 908.9004619 911.6022632
917.1078084 920.0933550 926.6658764 927.2953397 934.5769815
939.7174868 945.2528520 947.7944192 955.8555281 960.1661177
963.5480574 971.2930281 977.8648989 982.2480695 989.2534954
990.3639181 992.6906840 999.3214750 1002.8284678 1004.9827867
1007.6535562
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1039
Rtb_to_modes> Number of blocs = 129
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: 9.9922E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9937E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.9055E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1389
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1936
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.948
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.104
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 4.404
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.685
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.817
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.621
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.43
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 11.56
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.09
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.41
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.51
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.41
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.92
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 17.76
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 20.63
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 21.36
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 21.92
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.50
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.54
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 23.76
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 24.46
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 25.68
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 26.18
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 26.93
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 29.49
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 30.25
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 30.58
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 31.37
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 31.86
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 32.20
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 32.85
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 35.06
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 36.28
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 36.49
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 37.94
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 38.23
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 39.42
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 40.12
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 41.47
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 41.84
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 42.95
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 43.59
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 44.85
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 45.34
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 47.49
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 48.18
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 49.32
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 49.49
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 50.31
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 51.37
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 51.80
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 52.85
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 52.90
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 53.98
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 55.51
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 56.03
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 56.90
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 57.63
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 58.40
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 58.85
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 59.19
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 60.43
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 61.08
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 61.81
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 62.53
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 62.83
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 63.97
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 65.19
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 66.16
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 66.75
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 67.72
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 68.16
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 69.46
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 70.06
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 70.47
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 71.33
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 71.79
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 72.82
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 72.92
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 74.07
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 74.89
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 75.77
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 76.18
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 77.48
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 78.18
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 78.73
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 80.00
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 81.09
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 81.82
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 82.99
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 83.18
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 83.57
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 84.69
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 85.28
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 85.65
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 86.11
Rtb_to_modes> 106 vectors, with 774 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 0.99999 1.00000 1.00000
1.00000 1.00000 1.00003 0.99997 1.00003
1.00001 0.99999 0.99998 1.00002 1.00001
1.00001 1.00001 1.00003 1.00001 1.00001
0.99999 0.99998 0.99995 1.00000 0.99996
1.00001 0.99999 1.00002 0.99999 1.00000
1.00000 1.00000 1.00002 0.99998 0.99998
1.00002 0.99998 0.99998 1.00002 0.99996
1.00000 1.00000 1.00004 1.00003 0.99997
0.99999 0.99999 0.99997 1.00001 1.00001
0.99999 1.00001 1.00003 0.99998 1.00004
1.00000 1.00002 1.00000 1.00000 1.00000
1.00000 1.00002 0.99999 0.99998 1.00001
1.00000 1.00002 1.00002 1.00000 1.00002
1.00005 0.99994 0.99998 0.99999 0.99999
0.99997 1.00004 1.00005 1.00001 1.00000
1.00002 0.99997 1.00003 1.00004 0.99999
1.00002 1.00001 0.99999 1.00004 1.00000
1.00001 0.99999 0.99997 0.99999 0.99994
0.99999 1.00001 0.99998 0.99998 0.99999
1.00002 1.00000 1.00001 0.99999 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 18702 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 0.99999 1.00000 1.00000
1.00000 1.00000 1.00003 0.99997 1.00003
1.00001 0.99999 0.99998 1.00002 1.00001
1.00001 1.00001 1.00003 1.00001 1.00001
0.99999 0.99998 0.99995 1.00000 0.99996
1.00001 0.99999 1.00002 0.99999 1.00000
1.00000 1.00000 1.00002 0.99998 0.99998
1.00002 0.99998 0.99998 1.00002 0.99996
1.00000 1.00000 1.00004 1.00003 0.99997
0.99999 0.99999 0.99997 1.00001 1.00001
0.99999 1.00001 1.00003 0.99998 1.00004
1.00000 1.00002 1.00000 1.00000 1.00000
1.00000 1.00002 0.99999 0.99998 1.00001
1.00000 1.00002 1.00002 1.00000 1.00002
1.00005 0.99994 0.99998 0.99999 0.99999
0.99997 1.00004 1.00005 1.00001 1.00000
1.00002 0.99997 1.00003 1.00004 0.99999
1.00002 1.00001 0.99999 1.00004 1.00000
1.00001 0.99999 0.99997 0.99999 0.99994
0.99999 1.00001 0.99998 0.99998 0.99999
1.00002 1.00000 1.00001 0.99999 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000 0.000
Vector 4:-0.000-0.000 0.000
Vector 5: 0.000 0.000 0.000-0.000
Vector 6: 0.000-0.000 0.000 0.000-0.000
Vector 7:-0.000 0.000 0.000-0.000-0.000-0.000
Vector 8: 0.000-0.000 0.000 0.000 0.000-0.000-0.000
Vector 9: 0.000-0.000 0.000 0.000 0.000-0.000 0.000 0.000
Vector 10:-0.000-0.000 0.000 0.000 0.000-0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240222075232363857.eigenfacs
Openam> file on opening on unit 10:
240222075232363857.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240222075232363857.atom
Openam> file on opening on unit 11:
240222075232363857.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 = 129
First residue number = 99
Last residue number = 227
Number of atoms found = 1039
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: 9.9922E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9937E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.9055E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.948
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.104
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 4.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.685
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.817
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 11.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 20.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 21.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 21.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 23.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 24.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 25.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 26.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 26.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 29.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 30.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 30.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 31.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 31.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 32.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 32.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 35.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 36.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 36.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 37.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 38.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 39.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 40.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 41.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 41.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 42.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 43.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 44.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 45.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 47.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 48.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 49.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 49.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 50.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 51.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 51.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 52.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 52.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 53.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 55.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 56.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 56.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 57.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 58.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 58.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 59.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 60.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 61.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 61.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 62.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 62.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 63.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 65.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 66.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 66.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 67.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 68.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 69.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 70.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 70.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 71.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 71.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 72.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 72.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 74.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 74.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 75.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 76.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 77.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 78.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 78.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 80.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 81.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 81.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 82.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 83.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 83.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 84.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 85.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 85.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 86.11
Bfactors> 106 vectors, 3117 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.069055
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= 0.647 for 129 C-alpha atoms.
Bfactors> = 0.360 +/- 1.12
Bfactors> = 28.707 +/- 6.91
Bfactors> Shiftng-fct= 28.347
Bfactors> Scaling-fct= 6.161
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240222075232363857 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=0
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=100
240222075232363857.eigenfacs
240222075232363857.atom
making animated gifs
11 models are in 240222075232363857.7.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 240222075232363857.7.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 240222075232363857.7.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 240222075232363857 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=0
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=100
240222075232363857.eigenfacs
240222075232363857.atom
making animated gifs
11 models are in 240222075232363857.8.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 240222075232363857.8.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 240222075232363857.8.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 240222075232363857 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=0
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=100
240222075232363857.eigenfacs
240222075232363857.atom
making animated gifs
11 models are in 240222075232363857.9.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 240222075232363857.9.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 240222075232363857.9.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 240222075232363857 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=0
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=100
240222075232363857.eigenfacs
240222075232363857.atom
making animated gifs
11 models are in 240222075232363857.10.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 240222075232363857.10.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 240222075232363857.10.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 240222075232363857 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=-20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=0
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=20
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=40
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=60
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=80
240222075232363857.eigenfacs
240222075232363857.atom
calculating perturbed structure for DQ=100
240222075232363857.eigenfacs
240222075232363857.atom
making animated gifs
11 models are in 240222075232363857.11.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 240222075232363857.11.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 240222075232363857.11.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
240222075232363857.10.pdb
240222075232363857.11.pdb
240222075232363857.7.pdb
240222075232363857.8.pdb
240222075232363857.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m6.759s
user 0m6.739s
sys 0m0.020s
../../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: 240222075232363857.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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