*** Y537S ***
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 = 2404071712182810243.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 2404071712182810243.atom to be opened.
Openam> File opened: 2404071712182810243.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 = 446
First residue number = 306
Last residue number = 546
Number of atoms found = 3516
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 16.302319 +/- 14.348569 From: -21.195000 To: 45.253000
= -27.350082 +/- 12.268169 From: -59.348000 To: 1.743000
= 22.830435 +/- 11.013993 From: -6.851000 To: 47.853000
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 2.3478 % Filled.
Pdbmat> 1306199 non-zero elements.
Pdbmat> 142812 atom-atom interactions.
Pdbmat> Number per atom= 81.24 +/- 22.03
Maximum number = 131
Minimum number = 13
Pdbmat> Matrix trace = 2.856240E+06
Pdbmat> Larger element = 504.898
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
446 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 = 2404071712182810243.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 2404071712182810243.atom to be opened.
Openam> file on opening on unit 11:
2404071712182810243.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3516 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> 446 residues.
Blocpdb> 18 atoms in block 1
Block first atom: 1
Blocpdb> 21 atoms in block 2
Block first atom: 19
Blocpdb> 22 atoms in block 3
Block first atom: 40
Blocpdb> 21 atoms in block 4
Block first atom: 62
Blocpdb> 21 atoms in block 5
Block first atom: 83
Blocpdb> 30 atoms in block 6
Block first atom: 104
Blocpdb> 22 atoms in block 7
Block first atom: 134
Blocpdb> 26 atoms in block 8
Block first atom: 156
Blocpdb> 21 atoms in block 9
Block first atom: 182
Blocpdb> 22 atoms in block 10
Block first atom: 203
Blocpdb> 19 atoms in block 11
Block first atom: 225
Blocpdb> 20 atoms in block 12
Block first atom: 244
Blocpdb> 23 atoms in block 13
Block first atom: 264
Blocpdb> 21 atoms in block 14
Block first atom: 287
Blocpdb> 28 atoms in block 15
Block first atom: 308
Blocpdb> 25 atoms in block 16
Block first atom: 336
Blocpdb> 30 atoms in block 17
Block first atom: 361
Blocpdb> 25 atoms in block 18
Block first atom: 391
Blocpdb> 18 atoms in block 19
Block first atom: 416
Blocpdb> 26 atoms in block 20
Block first atom: 434
Blocpdb> 23 atoms in block 21
Block first atom: 460
Blocpdb> 34 atoms in block 22
Block first atom: 483
Blocpdb> 25 atoms in block 23
Block first atom: 517
Blocpdb> 23 atoms in block 24
Block first atom: 542
Blocpdb> 27 atoms in block 25
Block first atom: 565
Blocpdb> 25 atoms in block 26
Block first atom: 592
Blocpdb> 20 atoms in block 27
Block first atom: 617
Blocpdb> 33 atoms in block 28
Block first atom: 637
Blocpdb> 25 atoms in block 29
Block first atom: 670
Blocpdb> 26 atoms in block 30
Block first atom: 695
Blocpdb> 21 atoms in block 31
Block first atom: 721
Blocpdb> 24 atoms in block 32
Block first atom: 742
Blocpdb> 23 atoms in block 33
Block first atom: 766
Blocpdb> 24 atoms in block 34
Block first atom: 789
Blocpdb> 28 atoms in block 35
Block first atom: 813
Blocpdb> 19 atoms in block 36
Block first atom: 841
Blocpdb> 19 atoms in block 37
Block first atom: 860
Blocpdb> 24 atoms in block 38
Block first atom: 879
Blocpdb> 27 atoms in block 39
Block first atom: 903
Blocpdb> 24 atoms in block 40
Block first atom: 930
Blocpdb> 18 atoms in block 41
Block first atom: 954
Blocpdb> 28 atoms in block 42
Block first atom: 972
Blocpdb> 24 atoms in block 43
Block first atom: 1000
Blocpdb> 25 atoms in block 44
Block first atom: 1024
Blocpdb> 22 atoms in block 45
Block first atom: 1049
Blocpdb> 24 atoms in block 46
Block first atom: 1071
Blocpdb> 23 atoms in block 47
Block first atom: 1095
Blocpdb> 24 atoms in block 48
Block first atom: 1118
Blocpdb> 22 atoms in block 49
Block first atom: 1142
Blocpdb> 23 atoms in block 50
Block first atom: 1164
Blocpdb> 17 atoms in block 51
Block first atom: 1187
Blocpdb> 24 atoms in block 52
Block first atom: 1204
Blocpdb> 23 atoms in block 53
Block first atom: 1228
Blocpdb> 26 atoms in block 54
Block first atom: 1251
Blocpdb> 28 atoms in block 55
Block first atom: 1277
Blocpdb> 23 atoms in block 56
Block first atom: 1305
Blocpdb> 22 atoms in block 57
Block first atom: 1328
Blocpdb> 22 atoms in block 58
Block first atom: 1350
Blocpdb> 26 atoms in block 59
Block first atom: 1372
Blocpdb> 21 atoms in block 60
Block first atom: 1398
Blocpdb> 18 atoms in block 61
Block first atom: 1419
Blocpdb> 23 atoms in block 62
Block first atom: 1437
Blocpdb> 27 atoms in block 63
Block first atom: 1460
Blocpdb> 30 atoms in block 64
Block first atom: 1487
Blocpdb> 22 atoms in block 65
Block first atom: 1517
Blocpdb> 24 atoms in block 66
Block first atom: 1539
Blocpdb> 22 atoms in block 67
Block first atom: 1563
Blocpdb> 29 atoms in block 68
Block first atom: 1585
Blocpdb> 24 atoms in block 69
Block first atom: 1614
Blocpdb> 21 atoms in block 70
Block first atom: 1638
Blocpdb> 35 atoms in block 71
Block first atom: 1659
Blocpdb> 26 atoms in block 72
Block first atom: 1694
Blocpdb> 8 atoms in block 73
Block first atom: 1720
Blocpdb> 19 atoms in block 74
Block first atom: 1728
Blocpdb> 21 atoms in block 75
Block first atom: 1747
Blocpdb> 25 atoms in block 76
Block first atom: 1768
Blocpdb> 23 atoms in block 77
Block first atom: 1793
Blocpdb> 13 atoms in block 78
Block first atom: 1816
Blocpdb> 21 atoms in block 79
Block first atom: 1829
Blocpdb> 21 atoms in block 80
Block first atom: 1850
Blocpdb> 22 atoms in block 81
Block first atom: 1871
Blocpdb> 21 atoms in block 82
Block first atom: 1893
Blocpdb> 21 atoms in block 83
Block first atom: 1914
Blocpdb> 18 atoms in block 84
Block first atom: 1935
Blocpdb> 22 atoms in block 85
Block first atom: 1953
Blocpdb> 26 atoms in block 86
Block first atom: 1975
Blocpdb> 24 atoms in block 87
Block first atom: 2001
Blocpdb> 22 atoms in block 88
Block first atom: 2025
Blocpdb> 20 atoms in block 89
Block first atom: 2047
Blocpdb> 23 atoms in block 90
Block first atom: 2067
Blocpdb> 24 atoms in block 91
Block first atom: 2090
Blocpdb> 24 atoms in block 92
Block first atom: 2114
Blocpdb> 26 atoms in block 93
Block first atom: 2138
Blocpdb> 27 atoms in block 94
Block first atom: 2164
Blocpdb> 25 atoms in block 95
Block first atom: 2191
Blocpdb> 22 atoms in block 96
Block first atom: 2216
Blocpdb> 23 atoms in block 97
Block first atom: 2238
Blocpdb> 25 atoms in block 98
Block first atom: 2261
Blocpdb> 24 atoms in block 99
Block first atom: 2286
Blocpdb> 26 atoms in block 100
Block first atom: 2310
Blocpdb> 26 atoms in block 101
Block first atom: 2336
Blocpdb> 31 atoms in block 102
Block first atom: 2362
Blocpdb> 24 atoms in block 103
Block first atom: 2393
Blocpdb> 20 atoms in block 104
Block first atom: 2417
Blocpdb> 32 atoms in block 105
Block first atom: 2437
Blocpdb> 19 atoms in block 106
Block first atom: 2469
Blocpdb> 21 atoms in block 107
Block first atom: 2488
Blocpdb> 25 atoms in block 108
Block first atom: 2509
Blocpdb> 23 atoms in block 109
Block first atom: 2534
Blocpdb> 24 atoms in block 110
Block first atom: 2557
Blocpdb> 27 atoms in block 111
Block first atom: 2581
Blocpdb> 21 atoms in block 112
Block first atom: 2608
Blocpdb> 21 atoms in block 113
Block first atom: 2629
Blocpdb> 17 atoms in block 114
Block first atom: 2650
Blocpdb> 20 atoms in block 115
Block first atom: 2667
Blocpdb> 27 atoms in block 116
Block first atom: 2687
Blocpdb> 21 atoms in block 117
Block first atom: 2714
Blocpdb> 19 atoms in block 118
Block first atom: 2735
Blocpdb> 33 atoms in block 119
Block first atom: 2754
Blocpdb> 21 atoms in block 120
Block first atom: 2787
Blocpdb> 21 atoms in block 121
Block first atom: 2808
Blocpdb> 29 atoms in block 122
Block first atom: 2829
Blocpdb> 21 atoms in block 123
Block first atom: 2858
Blocpdb> 23 atoms in block 124
Block first atom: 2879
Blocpdb> 24 atoms in block 125
Block first atom: 2902
Blocpdb> 18 atoms in block 126
Block first atom: 2926
Blocpdb> 19 atoms in block 127
Block first atom: 2944
Blocpdb> 15 atoms in block 128
Block first atom: 2963
Blocpdb> 26 atoms in block 129
Block first atom: 2978
Blocpdb> 22 atoms in block 130
Block first atom: 3004
Blocpdb> 25 atoms in block 131
Block first atom: 3026
Blocpdb> 23 atoms in block 132
Block first atom: 3051
Blocpdb> 23 atoms in block 133
Block first atom: 3074
Blocpdb> 26 atoms in block 134
Block first atom: 3097
Blocpdb> 19 atoms in block 135
Block first atom: 3123
Blocpdb> 19 atoms in block 136
Block first atom: 3142
Blocpdb> 26 atoms in block 137
Block first atom: 3161
Blocpdb> 28 atoms in block 138
Block first atom: 3187
Blocpdb> 24 atoms in block 139
Block first atom: 3215
Blocpdb> 25 atoms in block 140
Block first atom: 3239
Blocpdb> 24 atoms in block 141
Block first atom: 3264
Blocpdb> 30 atoms in block 142
Block first atom: 3288
Blocpdb> 29 atoms in block 143
Block first atom: 3318
Blocpdb> 23 atoms in block 144
Block first atom: 3347
Blocpdb> 21 atoms in block 145
Block first atom: 3370
Blocpdb> 24 atoms in block 146
Block first atom: 3391
Blocpdb> 14 atoms in block 147
Block first atom: 3415
Blocpdb> 21 atoms in block 148
Block first atom: 3429
Blocpdb> 24 atoms in block 149
Block first atom: 3450
Blocpdb> 25 atoms in block 150
Block first atom: 3474
Blocpdb> 18 atoms in block 151
Block first atom: 3498
Blocpdb> 151 blocks.
Blocpdb> At most, 35 atoms in each of them.
Blocpdb> At least, 8 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> 1306350 matrix lines read.
Prepmat> Matrix order = 10548
Prepmat> Matrix trace = 2856240.0000
Prepmat> Last element read: 10548 10548 107.5843
Prepmat> 11477 lines saved.
Prepmat> 9908 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: 3516
RTB> Total mass = 3516.0000
RTB> Number of atoms found in matrix: 3516
RTB> Number of blocks = 151
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 188824.7753
RTB> 54183 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 = 906
Diagstd> Nb of non-zero elements: 54183
Diagstd> Projected matrix trace = 188824.7753
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 906 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 188824.7753
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.4715161 1.6519559 2.5040500 2.6729398
3.1736502 5.3136891 5.8433306 6.1851651 6.7624289
7.0368023 7.5874363 8.6599737 9.6665251 9.9167806
10.7709875 10.9985464 11.9072795 12.0923081 12.8222414
13.4054480 14.0184113 14.9346719 15.1646030 15.6212295
16.3921789 16.8559281 17.8915051 18.7990170 19.1037506
19.3301871 19.8657264 21.2745427 21.7449386 22.1739625
22.4075918 23.6495854 24.0497237 24.5620689 25.0858347
25.2547306 26.2619202 26.5454387 26.7991337 27.4300462
27.6294578 28.5312439 29.0346946 29.2292111 29.5877982
30.2450419 30.4214559 31.8825196 32.4633339 32.6474707
33.4052045 33.9367326 34.3486034 34.9449132 35.9298809
36.8235391 37.3196422 37.9577054 38.1420390 38.3375019
38.8113728 39.0444623 39.2435173 39.6163571 40.1901246
41.4911028 41.6322409 42.2775046 43.0522545 43.5007685
43.7091798 43.9234236 45.1874479 45.4954604 45.8796744
46.6271216 47.2224739 47.5333046 47.7550169 47.9242011
48.8890166 49.2302513 50.1196268 50.2357857 51.2296788
51.7065995 52.0814822 52.2191086 53.2375083 53.6441581
53.8904053 54.3458483 55.0863538 55.5556541 55.9569156
56.6240734
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034331 0.0034333 0.0034335 0.0034346
0.0034354 131.7279071 139.5707780 171.8370373 177.5374046
193.4527049 250.3187321 262.4977032 270.0666318 282.3882601
288.0599981 299.1181796 319.5608496 337.6217928 341.9641923
356.3879739 360.1330054 374.7154110 377.6155613 388.8456589
397.5904525 406.5787527 419.6556972 422.8738236 429.1932532
439.6566258 445.8323876 459.3235562 470.8286156 474.6293610
477.4339623 484.0023893 500.8704349 506.3774678 511.3484396
514.0352148 528.0889082 532.5376600 538.1802458 543.8881018
545.7159537 556.4914792 559.4873011 562.1544565 568.7331592
570.7967101 580.0369147 585.1320834 587.0888426 590.6790997
597.2035428 598.9427017 613.1568691 618.7167019 620.4689461
627.6280537 632.6016113 636.4287962 641.9293953 650.9133356
658.9584676 663.3825082 669.0294816 670.6520142 672.3682318
676.5108751 678.5392950 680.2667481 683.4906049 688.4223418
699.4759217 700.6645975 706.0735663 712.5137174 716.2155481
717.9291858 719.6865267 729.9686134 732.4522414 735.5385579
741.5058526 746.2247476 748.6766434 750.4206597 751.7487612
759.2782005 761.9233912 768.7748986 769.6652519 777.2417065
780.8511762 783.6767242 784.7114818 792.3264252 795.3467252
797.1701078 800.5315750 805.9670622 809.3929419 812.3106818
817.1388039
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3516
Rtb_to_modes> Number of blocs = 151
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: 9.9943E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9948E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9964E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.472
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.652
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.504
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.673
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.174
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.314
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.843
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.185
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 6.762
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 7.037
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.587
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.660
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.667
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 9.917
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 10.77
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 11.00
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 11.91
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 12.09
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 13.41
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 14.02
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.93
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 15.16
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 15.62
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 16.39
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 16.86
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 18.80
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 19.10
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 19.33
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 19.87
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 21.27
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 21.74
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 22.17
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 22.41
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 23.65
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 24.56
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 25.09
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 25.25
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 26.26
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 26.55
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 26.80
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 27.43
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 27.63
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 28.53
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 29.03
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 29.23
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 29.59
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 30.25
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 30.42
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 31.88
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 32.46
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 32.65
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 33.41
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 33.94
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 34.35
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 34.94
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 35.93
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 36.82
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 37.32
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 37.96
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 38.14
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 38.34
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 38.81
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 39.04
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 39.24
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 39.62
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 40.19
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 41.49
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 41.63
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 42.28
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 43.05
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 43.50
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 43.71
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 43.92
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 45.19
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 45.50
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 45.88
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 46.63
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 47.22
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 47.53
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 47.76
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 47.92
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 48.89
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 49.23
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 50.12
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 50.24
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 51.23
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 51.71
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 52.08
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 52.22
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 53.24
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 53.64
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 53.89
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 54.35
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 55.09
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 55.56
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 55.96
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 56.62
Rtb_to_modes> 106 vectors, with 906 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00002 0.99999 0.99998
1.00000 0.99997 0.99998 0.99998 1.00000
1.00001 1.00002 0.99997 1.00005 0.99999
0.99999 0.99996 1.00001 0.99995 0.99997
1.00001 0.99999 1.00005 0.99999 0.99999
1.00001 1.00002 1.00000 1.00000 1.00001
0.99999 1.00000 0.99999 1.00001 1.00000
0.99999 1.00002 0.99998 0.99999 1.00002
0.99998 0.99999 1.00002 1.00001 0.99998
1.00000 1.00001 1.00000 1.00000 1.00004
1.00000 0.99998 1.00001 1.00001 1.00004
1.00001 0.99999 1.00000 0.99997 0.99998
1.00000 1.00000 1.00001 1.00001 1.00000
1.00001 0.99999 0.99999 0.99998 0.99999
1.00002 0.99997 1.00000 1.00000 1.00001
1.00000 1.00004 0.99999 0.99998 0.99999
1.00002 1.00001 1.00001 1.00002 1.00000
0.99998 1.00002 0.99999 1.00001 1.00000
1.00004 0.99999 0.99998 0.99998 0.99999
1.00000 1.00000 0.99999 1.00002 0.99997
0.99999 1.00001 0.99999 1.00001 1.00002
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 63288 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00002 0.99999 0.99998
1.00000 0.99997 0.99998 0.99998 1.00000
1.00001 1.00002 0.99997 1.00005 0.99999
0.99999 0.99996 1.00001 0.99995 0.99997
1.00001 0.99999 1.00005 0.99999 0.99999
1.00001 1.00002 1.00000 1.00000 1.00001
0.99999 1.00000 0.99999 1.00001 1.00000
0.99999 1.00002 0.99998 0.99999 1.00002
0.99998 0.99999 1.00002 1.00001 0.99998
1.00000 1.00001 1.00000 1.00000 1.00004
1.00000 0.99998 1.00001 1.00001 1.00004
1.00001 0.99999 1.00000 0.99997 0.99998
1.00000 1.00000 1.00001 1.00001 1.00000
1.00001 0.99999 0.99999 0.99998 0.99999
1.00002 0.99997 1.00000 1.00000 1.00001
1.00000 1.00004 0.99999 0.99998 0.99999
1.00002 1.00001 1.00001 1.00002 1.00000
0.99998 1.00002 0.99999 1.00001 1.00000
1.00004 0.99999 0.99998 0.99998 0.99999
1.00000 1.00000 0.99999 1.00002 0.99997
0.99999 1.00001 0.99999 1.00001 1.00002
0.99998
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4: 0.000-0.000-0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6: 0.000-0.000-0.000-0.000 0.000
Vector 7:-0.000 0.000-0.000 0.000-0.000 0.000
Vector 8:-0.000-0.000 0.000 0.000-0.000 0.000 0.000
Vector 9:-0.000 0.000 0.000-0.000 0.000-0.000 0.000-0.000
Vector 10: 0.000 0.000 0.000 0.000-0.000-0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404071712182810243.eigenfacs
Openam> file on opening on unit 10:
2404071712182810243.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404071712182810243.atom
Openam> file on opening on unit 11:
2404071712182810243.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 = 446
First residue number = 306
Last residue number = 546
Number of atoms found = 3516
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9943E-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: 9.9964E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.504
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.843
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 6.762
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 7.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.587
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.660
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 9.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 10.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 11.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 11.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 13.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 14.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 15.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 15.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 16.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 16.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 18.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 19.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 19.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 19.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 21.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 21.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 22.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 22.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 23.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 24.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 25.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 25.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 26.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 26.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 26.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 27.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 27.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 28.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 29.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 29.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 29.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 30.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 30.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 31.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 32.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 32.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 33.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 33.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 34.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 34.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 35.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 36.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 37.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 37.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 38.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 38.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 38.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 39.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 39.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 39.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 40.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 41.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 41.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 42.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 43.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 43.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 43.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 43.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 45.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 45.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 45.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 46.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 47.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 47.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 47.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 47.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 48.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 49.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 50.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 50.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 51.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 51.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 52.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 52.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 53.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 53.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 53.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 54.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 55.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 55.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 55.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 56.62
Bfactors> 106 vectors, 10548 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.472000
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= 0.291 for 452 C-alpha atoms.
Bfactors> = 0.028 +/- 0.08
Bfactors> = 29.530 +/- 11.00
Bfactors> Shiftng-fct= 29.502
Bfactors> Scaling-fct= 131.391
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404071712182810243 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=0
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=100
2404071712182810243.eigenfacs
2404071712182810243.atom
making animated gifs
11 models are in 2404071712182810243.7.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 2404071712182810243.7.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 2404071712182810243.7.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 2404071712182810243 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=0
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=100
2404071712182810243.eigenfacs
2404071712182810243.atom
making animated gifs
11 models are in 2404071712182810243.8.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 2404071712182810243.8.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 2404071712182810243.8.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 2404071712182810243 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=0
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=100
2404071712182810243.eigenfacs
2404071712182810243.atom
making animated gifs
11 models are in 2404071712182810243.9.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 2404071712182810243.9.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 2404071712182810243.9.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 2404071712182810243 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=0
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=100
2404071712182810243.eigenfacs
2404071712182810243.atom
making animated gifs
11 models are in 2404071712182810243.10.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 2404071712182810243.10.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 2404071712182810243.10.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 2404071712182810243 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=-20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=0
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=20
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=40
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=60
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=80
2404071712182810243.eigenfacs
2404071712182810243.atom
calculating perturbed structure for DQ=100
2404071712182810243.eigenfacs
2404071712182810243.atom
making animated gifs
11 models are in 2404071712182810243.11.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 2404071712182810243.11.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 2404071712182810243.11.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
2404071712182810243.10.pdb
2404071712182810243.11.pdb
2404071712182810243.7.pdb
2404071712182810243.8.pdb
2404071712182810243.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.116s
user 0m15.056s
sys 0m0.060s
../../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: 2404071712182810243.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.
|
