*** 4ake ***
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 = 240124123344239292.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 240124123344239292.atom to be opened.
Openam> File opened: 240124123344239292.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 = 428
First residue number = 1
Last residue number = 214
Number of atoms found = 3312
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= -3.145103 +/- 8.090134 From: -21.988000 To: 16.680000
= 0.660122 +/- 15.560969 From: -32.775000 To: 34.155000
= 0.531298 +/- 18.671470 From: -37.175000 To: 40.498000
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 2.3465 % Filled.
Pdbmat> 1158419 non-zero elements.
Pdbmat> 126528 atom-atom interactions.
Pdbmat> Number per atom= 76.41 +/- 18.82
Maximum number = 124
Minimum number = 14
Pdbmat> Matrix trace = 2.530560E+06
Pdbmat> Larger element = 495.010
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
428 non-zero elements, NRBL set to 3
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 = 240124123344239292.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 240124123344239292.atom to be opened.
Openam> file on opening on unit 11:
240124123344239292.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3312 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 428 residues.
Blocpdb> 27 atoms in block 1
Block first atom: 1
Blocpdb> 24 atoms in block 2
Block first atom: 28
Blocpdb> 16 atoms in block 3
Block first atom: 52
Blocpdb> 13 atoms in block 4
Block first atom: 68
Blocpdb> 20 atoms in block 5
Block first atom: 81
Blocpdb> 23 atoms in block 6
Block first atom: 101
Blocpdb> 27 atoms in block 7
Block first atom: 124
Blocpdb> 30 atoms in block 8
Block first atom: 151
Blocpdb> 19 atoms in block 9
Block first atom: 181
Blocpdb> 23 atoms in block 10
Block first atom: 200
Blocpdb> 19 atoms in block 11
Block first atom: 223
Blocpdb> 27 atoms in block 12
Block first atom: 242
Blocpdb> 17 atoms in block 13
Block first atom: 269
Blocpdb> 19 atoms in block 14
Block first atom: 286
Blocpdb> 23 atoms in block 15
Block first atom: 305
Blocpdb> 22 atoms in block 16
Block first atom: 328
Blocpdb> 22 atoms in block 17
Block first atom: 350
Blocpdb> 24 atoms in block 18
Block first atom: 372
Blocpdb> 18 atoms in block 19
Block first atom: 396
Blocpdb> 22 atoms in block 20
Block first atom: 414
Blocpdb> 25 atoms in block 21
Block first atom: 436
Blocpdb> 20 atoms in block 22
Block first atom: 461
Blocpdb> 24 atoms in block 23
Block first atom: 481
Blocpdb> 28 atoms in block 24
Block first atom: 505
Blocpdb> 23 atoms in block 25
Block first atom: 533
Blocpdb> 25 atoms in block 26
Block first atom: 556
Blocpdb> 23 atoms in block 27
Block first atom: 581
Blocpdb> 24 atoms in block 28
Block first atom: 604
Blocpdb> 22 atoms in block 29
Block first atom: 628
Blocpdb> 26 atoms in block 30
Block first atom: 650
Blocpdb> 21 atoms in block 31
Block first atom: 676
Blocpdb> 21 atoms in block 32
Block first atom: 697
Blocpdb> 23 atoms in block 33
Block first atom: 718
Blocpdb> 20 atoms in block 34
Block first atom: 741
Blocpdb> 27 atoms in block 35
Block first atom: 761
Blocpdb> 24 atoms in block 36
Block first atom: 788
Blocpdb> 26 atoms in block 37
Block first atom: 812
Blocpdb> 24 atoms in block 38
Block first atom: 838
Blocpdb> 23 atoms in block 39
Block first atom: 862
Blocpdb> 27 atoms in block 40
Block first atom: 885
Blocpdb> 22 atoms in block 41
Block first atom: 912
Blocpdb> 28 atoms in block 42
Block first atom: 934
Blocpdb> 18 atoms in block 43
Block first atom: 962
Blocpdb> 22 atoms in block 44
Block first atom: 980
Blocpdb> 29 atoms in block 45
Block first atom: 1002
Blocpdb> 28 atoms in block 46
Block first atom: 1031
Blocpdb> 23 atoms in block 47
Block first atom: 1059
Blocpdb> 20 atoms in block 48
Block first atom: 1082
Blocpdb> 25 atoms in block 49
Block first atom: 1102
Blocpdb> 18 atoms in block 50
Block first atom: 1127
Blocpdb> 26 atoms in block 51
Block first atom: 1145
Blocpdb> 25 atoms in block 52
Block first atom: 1171
Blocpdb> 25 atoms in block 53
Block first atom: 1196
Blocpdb> 27 atoms in block 54
Block first atom: 1221
Blocpdb> 25 atoms in block 55
Block first atom: 1248
Blocpdb> 28 atoms in block 56
Block first atom: 1273
Blocpdb> 28 atoms in block 57
Block first atom: 1301
Blocpdb> 27 atoms in block 58
Block first atom: 1329
Blocpdb> 19 atoms in block 59
Block first atom: 1356
Blocpdb> 20 atoms in block 60
Block first atom: 1375
Blocpdb> 30 atoms in block 61
Block first atom: 1395
Blocpdb> 23 atoms in block 62
Block first atom: 1425
Blocpdb> 18 atoms in block 63
Block first atom: 1448
Blocpdb> 24 atoms in block 64
Block first atom: 1466
Blocpdb> 26 atoms in block 65
Block first atom: 1490
Blocpdb> 19 atoms in block 66
Block first atom: 1516
Blocpdb> 23 atoms in block 67
Block first atom: 1535
Blocpdb> 21 atoms in block 68
Block first atom: 1558
Blocpdb> 23 atoms in block 69
Block first atom: 1579
Blocpdb> 25 atoms in block 70
Block first atom: 1602
Blocpdb> 25 atoms in block 71
Block first atom: 1627
Blocpdb> 5 atoms in block 72
Block first atom: 1652
Blocpdb> 27 atoms in block 73
Block first atom: 1657
Blocpdb> 24 atoms in block 74
Block first atom: 1684
Blocpdb> 16 atoms in block 75
Block first atom: 1708
Blocpdb> 13 atoms in block 76
Block first atom: 1724
Blocpdb> 20 atoms in block 77
Block first atom: 1737
Blocpdb> 23 atoms in block 78
Block first atom: 1757
Blocpdb> 27 atoms in block 79
Block first atom: 1780
Blocpdb> 30 atoms in block 80
Block first atom: 1807
Blocpdb> 19 atoms in block 81
Block first atom: 1837
Blocpdb> 23 atoms in block 82
Block first atom: 1856
Blocpdb> 19 atoms in block 83
Block first atom: 1879
Blocpdb> 27 atoms in block 84
Block first atom: 1898
Blocpdb> 17 atoms in block 85
Block first atom: 1925
Blocpdb> 19 atoms in block 86
Block first atom: 1942
Blocpdb> 23 atoms in block 87
Block first atom: 1961
Blocpdb> 22 atoms in block 88
Block first atom: 1984
Blocpdb> 22 atoms in block 89
Block first atom: 2006
Blocpdb> 24 atoms in block 90
Block first atom: 2028
Blocpdb> 18 atoms in block 91
Block first atom: 2052
Blocpdb> 22 atoms in block 92
Block first atom: 2070
Blocpdb> 25 atoms in block 93
Block first atom: 2092
Blocpdb> 20 atoms in block 94
Block first atom: 2117
Blocpdb> 24 atoms in block 95
Block first atom: 2137
Blocpdb> 28 atoms in block 96
Block first atom: 2161
Blocpdb> 23 atoms in block 97
Block first atom: 2189
Blocpdb> 25 atoms in block 98
Block first atom: 2212
Blocpdb> 23 atoms in block 99
Block first atom: 2237
Blocpdb> 24 atoms in block 100
Block first atom: 2260
Blocpdb> 22 atoms in block 101
Block first atom: 2284
Blocpdb> 26 atoms in block 102
Block first atom: 2306
Blocpdb> 21 atoms in block 103
Block first atom: 2332
Blocpdb> 21 atoms in block 104
Block first atom: 2353
Blocpdb> 23 atoms in block 105
Block first atom: 2374
Blocpdb> 20 atoms in block 106
Block first atom: 2397
Blocpdb> 27 atoms in block 107
Block first atom: 2417
Blocpdb> 24 atoms in block 108
Block first atom: 2444
Blocpdb> 26 atoms in block 109
Block first atom: 2468
Blocpdb> 24 atoms in block 110
Block first atom: 2494
Blocpdb> 23 atoms in block 111
Block first atom: 2518
Blocpdb> 27 atoms in block 112
Block first atom: 2541
Blocpdb> 22 atoms in block 113
Block first atom: 2568
Blocpdb> 28 atoms in block 114
Block first atom: 2590
Blocpdb> 18 atoms in block 115
Block first atom: 2618
Blocpdb> 22 atoms in block 116
Block first atom: 2636
Blocpdb> 29 atoms in block 117
Block first atom: 2658
Blocpdb> 28 atoms in block 118
Block first atom: 2687
Blocpdb> 23 atoms in block 119
Block first atom: 2715
Blocpdb> 20 atoms in block 120
Block first atom: 2738
Blocpdb> 25 atoms in block 121
Block first atom: 2758
Blocpdb> 18 atoms in block 122
Block first atom: 2783
Blocpdb> 26 atoms in block 123
Block first atom: 2801
Blocpdb> 25 atoms in block 124
Block first atom: 2827
Blocpdb> 25 atoms in block 125
Block first atom: 2852
Blocpdb> 27 atoms in block 126
Block first atom: 2877
Blocpdb> 25 atoms in block 127
Block first atom: 2904
Blocpdb> 28 atoms in block 128
Block first atom: 2929
Blocpdb> 28 atoms in block 129
Block first atom: 2957
Blocpdb> 27 atoms in block 130
Block first atom: 2985
Blocpdb> 19 atoms in block 131
Block first atom: 3012
Blocpdb> 20 atoms in block 132
Block first atom: 3031
Blocpdb> 30 atoms in block 133
Block first atom: 3051
Blocpdb> 23 atoms in block 134
Block first atom: 3081
Blocpdb> 18 atoms in block 135
Block first atom: 3104
Blocpdb> 24 atoms in block 136
Block first atom: 3122
Blocpdb> 26 atoms in block 137
Block first atom: 3146
Blocpdb> 19 atoms in block 138
Block first atom: 3172
Blocpdb> 23 atoms in block 139
Block first atom: 3191
Blocpdb> 21 atoms in block 140
Block first atom: 3214
Blocpdb> 23 atoms in block 141
Block first atom: 3235
Blocpdb> 25 atoms in block 142
Block first atom: 3258
Blocpdb> 25 atoms in block 143
Block first atom: 3283
Blocpdb> 5 atoms in block 144
Block first atom: 3307
Blocpdb> 144 blocks.
Blocpdb> At most, 30 atoms in each of them.
Blocpdb> At least, 5 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> 1158563 matrix lines read.
Prepmat> Matrix order = 9936
Prepmat> Matrix trace = 2530560.0000
Prepmat> Last element read: 9936 9936 179.8346
Prepmat> 10441 lines saved.
Prepmat> 9211 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: 3312
RTB> Total mass = 3312.0000
RTB> Number of atoms found in matrix: 3312
RTB> Number of blocks = 144
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 167326.3556
RTB> 42084 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 = 864
Diagstd> Nb of non-zero elements: 42084
Diagstd> Projected matrix trace = 167326.3556
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 864 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 167326.3556
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 0.2675814 0.4492517 0.5439713 0.8969052
0.9835312 1.3820590 1.7089099 2.2241558 2.6924739
3.2402322 3.4667042 4.6321878 5.3434513 6.0141901
7.5133022 8.3389404 8.8692162 9.6177308 10.6126261
11.5403461 12.1351965 13.0902861 13.8100896 14.2823103
14.6835882 15.7200001 16.3789636 16.9010136 17.0209875
17.5150277 18.1224590 19.9676396 20.8126508 21.2281119
21.8649948 22.7421282 23.4791005 23.7222359 23.9093567
24.6241039 25.1641901 25.7564770 25.8101228 26.4976219
27.0919037 28.4649704 29.1884018 30.1556879 30.7929149
31.1539132 31.3880389 31.8400906 32.0171121 32.2153658
33.1962738 33.6517802 33.9941713 34.4099628 35.7984573
36.2356909 36.9707129 37.4308407 37.6616972 38.4346314
38.5469361 38.6729947 39.2695112 39.8195766 40.1840694
40.9716272 42.2363231 43.2238860 44.4736700 44.8598685
45.2053352 45.6031480 46.6655618 46.9230017 47.5505007
47.9424549 49.5523044 50.0082396 50.7811359 51.4192333
52.1408477 52.3776833 53.4306201 53.5012212 54.1688509
55.1415365 55.4269794 56.3194895 57.0969155 57.9096499
58.0864386 58.6666354 59.8458676 60.2773366 60.5612059
61.0938527
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034331 0.0034335 0.0034337 0.0034346
0.0034351 56.1724385 72.7847085 80.0909160 102.8415332
107.6934670 127.6610949 141.9563615 161.9488568 178.1849561
195.4714564 202.1872064 233.7159548 251.0187762 266.3077807
297.6533044 313.5817029 323.3984251 336.7685977 353.7583600
368.8966376 378.2846213 392.8889816 403.5464479 410.3878675
416.1130902 430.5479760 439.4793658 446.4282366 448.0099465
454.4652635 462.2786570 485.2422916 495.4033962 500.3235717
507.7734269 517.8581696 526.1820242 528.8994191 530.9812994
538.8594430 544.7368548 551.1102772 551.6839069 558.9831662
565.2167735 579.3628561 586.6788585 596.3207208 602.5882811
606.1101863 608.3834216 612.7487414 614.4497310 616.3491677
625.6622460 629.9401685 633.1367311 636.9969924 649.7217960
653.6775259 660.2739950 664.3700885 666.4157059 673.2194278
674.2022729 675.3037821 680.4920065 685.2414087 688.3704805
695.0833516 705.7295985 713.9325533 724.1803977 727.3179040
730.1130773 733.3185852 741.8114448 743.8548064 748.8120554
751.8919142 764.4114934 767.9201504 773.8316455 778.6783119
784.1232373 785.9020523 793.7621524 794.2864023 799.2268979
806.3706495 808.4550645 814.9381235 820.5434897 826.3627839
827.6231978 831.7462877 840.0639807 843.0868348 845.0697137
848.7778490
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3312
Rtb_to_modes> Number of blocs = 144
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: 9.9866E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9948E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2676
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.4493
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.5440
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.8969
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.9835
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.382
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.709
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.224
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.692
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 3.240
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.467
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.632
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 5.343
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.014
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.513
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.339
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 8.869
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 9.618
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 10.61
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 11.54
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 12.14
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 13.09
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 13.81
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 14.28
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 14.68
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 15.72
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 16.38
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 16.90
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 17.02
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 17.52
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 18.12
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 19.97
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 20.81
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 21.23
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 21.86
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 22.74
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 23.48
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 23.72
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 23.91
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 24.62
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 25.16
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 25.76
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 25.81
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 26.50
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 27.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 28.46
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 29.19
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 30.16
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 30.79
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 31.15
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 31.39
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 31.84
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 32.02
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 32.22
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 33.20
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 33.65
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 33.99
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 34.41
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 35.80
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 36.24
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 36.97
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 37.43
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 37.66
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 38.43
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 38.55
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 38.67
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 39.27
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 39.82
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 40.18
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 40.97
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 42.24
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 43.22
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 44.47
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 44.86
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 45.21
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 45.60
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 46.67
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 46.92
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 47.55
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 47.94
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 49.55
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 50.01
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 50.78
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 51.42
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 52.14
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 52.38
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 53.43
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 53.50
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 54.17
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 55.14
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 55.43
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 56.32
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 57.10
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 57.91
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 58.09
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 58.67
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 59.85
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 60.28
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 60.56
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 61.09
Rtb_to_modes> 106 vectors, with 864 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99998 1.00002 1.00000 1.00001
1.00000 0.99999 1.00001 1.00000 0.99997
1.00002 1.00002 0.99996 1.00002 0.99994
1.00001 1.00001 0.99999 1.00001 0.99999
1.00002 1.00001 0.99996 1.00000 0.99999
0.99999 0.99999 0.99997 1.00004 1.00002
0.99998 1.00000 0.99999 1.00000 1.00000
1.00001 0.99999 1.00000 1.00002 0.99998
1.00001 1.00000 1.00000 1.00002 0.99999
1.00001 1.00001 0.99998 1.00002 0.99999
1.00000 0.99999 1.00000 0.99998 0.99998
0.99999 1.00000 1.00002 0.99996 0.99997
0.99998 0.99998 1.00001 0.99999 1.00000
0.99998 0.99999 1.00000 0.99999 1.00000
1.00001 1.00000 1.00002 1.00000 0.99997
1.00001 0.99999 1.00003 1.00000 0.99997
1.00002 1.00002 1.00003 1.00000 0.99998
0.99997 1.00000 1.00000 1.00002 1.00001
1.00002 1.00000 1.00002 1.00000 0.99999
1.00001 1.00001 0.99997 1.00004 1.00002
1.00001 1.00001 1.00000 1.00003 1.00000
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 59616 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99998 1.00002 1.00000 1.00001
1.00000 0.99999 1.00001 1.00000 0.99997
1.00002 1.00002 0.99996 1.00002 0.99994
1.00001 1.00001 0.99999 1.00001 0.99999
1.00002 1.00001 0.99996 1.00000 0.99999
0.99999 0.99999 0.99997 1.00004 1.00002
0.99998 1.00000 0.99999 1.00000 1.00000
1.00001 0.99999 1.00000 1.00002 0.99998
1.00001 1.00000 1.00000 1.00002 0.99999
1.00001 1.00001 0.99998 1.00002 0.99999
1.00000 0.99999 1.00000 0.99998 0.99998
0.99999 1.00000 1.00002 0.99996 0.99997
0.99998 0.99998 1.00001 0.99999 1.00000
0.99998 0.99999 1.00000 0.99999 1.00000
1.00001 1.00000 1.00002 1.00000 0.99997
1.00001 0.99999 1.00003 1.00000 0.99997
1.00002 1.00002 1.00003 1.00000 0.99998
0.99997 1.00000 1.00000 1.00002 1.00001
1.00002 1.00000 1.00002 1.00000 0.99999
1.00001 1.00001 0.99997 1.00004 1.00002
1.00001 1.00001 1.00000 1.00003 1.00000
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> 240124123344239292.eigenfacs
Openam> file on opening on unit 10:
240124123344239292.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240124123344239292.atom
Openam> file on opening on unit 11:
240124123344239292.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 = 428
First residue number = 1
Last residue number = 214
Number of atoms found = 3312
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9866E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9948E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4493
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.709
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 3.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.632
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 5.343
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 8.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.618
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 10.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 11.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 12.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 13.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 14.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 14.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 15.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 16.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 16.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 17.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 18.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 19.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 20.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 21.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 22.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 23.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 23.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 23.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 24.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 25.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 25.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 25.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 26.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 27.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 28.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 29.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 30.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 30.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 31.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 31.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 31.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 32.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 32.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 33.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 33.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 33.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 34.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 35.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 36.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 36.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 37.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 37.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 38.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 38.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 38.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 39.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 39.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 40.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 40.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 42.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 43.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 44.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 44.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 45.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 45.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 46.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 46.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 47.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 47.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 49.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 50.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 50.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 51.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 52.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 52.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 53.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 53.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 54.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 55.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 55.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 56.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 57.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 57.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 58.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 58.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 59.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 60.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 60.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 61.09
Bfactors> 106 vectors, 9936 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 : 0.267600
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= 0.701 for 428 C-alpha atoms.
Bfactors> = 0.074 +/- 0.07
Bfactors> = 37.891 +/- 19.71
Bfactors> Shiftng-fct= 37.818
Bfactors> Scaling-fct= 290.503
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240124123344239292 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=0
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=100
240124123344239292.eigenfacs
240124123344239292.atom
making animated gifs
11 models are in 240124123344239292.7.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 240124123344239292.7.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 240124123344239292.7.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 240124123344239292 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=0
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=100
240124123344239292.eigenfacs
240124123344239292.atom
making animated gifs
11 models are in 240124123344239292.8.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 240124123344239292.8.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 240124123344239292.8.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 240124123344239292 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=0
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=100
240124123344239292.eigenfacs
240124123344239292.atom
making animated gifs
11 models are in 240124123344239292.9.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 240124123344239292.9.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 240124123344239292.9.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 240124123344239292 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=0
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=100
240124123344239292.eigenfacs
240124123344239292.atom
making animated gifs
11 models are in 240124123344239292.10.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 240124123344239292.10.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 240124123344239292.10.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 240124123344239292 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=-20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=0
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=20
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=40
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=60
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=80
240124123344239292.eigenfacs
240124123344239292.atom
calculating perturbed structure for DQ=100
240124123344239292.eigenfacs
240124123344239292.atom
making animated gifs
11 models are in 240124123344239292.11.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 240124123344239292.11.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 240124123344239292.11.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
240124123344239292.10.pdb
240124123344239292.11.pdb
240124123344239292.7.pdb
240124123344239292.8.pdb
240124123344239292.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m13.226s
user 0m13.158s
sys 0m0.068s
../../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: 240124123344239292.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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