*** ***
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 = 2401042136593881504.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 2401042136593881504.atom to be opened.
Openam> File opened: 2401042136593881504.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 = 176
First residue number = 86
Last residue number = 261
Number of atoms found = 1776
Mean number per residue = 10.1
Pdbmat> Coordinate statistics:
= -1.790041 +/- 11.016422 From: -24.328000 To: 27.789000
= -6.396743 +/- 7.178885 From: -26.674000 To: 11.935000
= 36.176603 +/- 10.524451 From: 8.553000 To: 60.732000
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 5.0217 % Filled.
Pdbmat> 712903 non-zero elements.
Pdbmat> 78038 atom-atom interactions.
Pdbmat> Number per atom= 87.88 +/- 27.15
Maximum number = 154
Minimum number = 10
Pdbmat> Matrix trace = 1.560760E+06
Pdbmat> Larger element = 563.624
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
176 non-zero elements, NRBL set to 1
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401042136593881504.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401042136593881504.atom to be opened.
Openam> file on opening on unit 11:
2401042136593881504.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1776 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 176 residues.
Blocpdb> 11 atoms in block 1
Block first atom: 1
Blocpdb> 9 atoms in block 2
Block first atom: 12
Blocpdb> 10 atoms in block 3
Block first atom: 21
Blocpdb> 6 atoms in block 4
Block first atom: 31
Blocpdb> 12 atoms in block 5
Block first atom: 37
Blocpdb> 13 atoms in block 6
Block first atom: 49
Blocpdb> 11 atoms in block 7
Block first atom: 62
Blocpdb> 14 atoms in block 8
Block first atom: 73
Blocpdb> 12 atoms in block 9
Block first atom: 87
Blocpdb> 17 atoms in block 10
Block first atom: 99
Blocpdb> 9 atoms in block 11
Block first atom: 116
Blocpdb> 16 atoms in block 12
Block first atom: 125
Blocpdb> 12 atoms in block 13
Block first atom: 141
Blocpdb> 13 atoms in block 14
Block first atom: 153
Blocpdb> 6 atoms in block 15
Block first atom: 166
Blocpdb> 11 atoms in block 16
Block first atom: 172
Blocpdb> 9 atoms in block 17
Block first atom: 183
Blocpdb> 6 atoms in block 18
Block first atom: 192
Blocpdb> 16 atoms in block 19
Block first atom: 198
Blocpdb> 9 atoms in block 20
Block first atom: 214
Blocpdb> 11 atoms in block 21
Block first atom: 223
Blocpdb> 12 atoms in block 22
Block first atom: 234
Blocpdb> 5 atoms in block 23
Block first atom: 246
Blocpdb> 13 atoms in block 24
Block first atom: 251
Blocpdb> 8 atoms in block 25
Block first atom: 264
Blocpdb> 9 atoms in block 26
Block first atom: 272
Blocpdb> 7 atoms in block 27
Block first atom: 281
Blocpdb> 12 atoms in block 28
Block first atom: 288
Blocpdb> 11 atoms in block 29
Block first atom: 300
Blocpdb> 9 atoms in block 30
Block first atom: 311
Blocpdb> 9 atoms in block 31
Block first atom: 320
Blocpdb> 9 atoms in block 32
Block first atom: 329
Blocpdb> 9 atoms in block 33
Block first atom: 338
Blocpdb> 11 atoms in block 34
Block first atom: 347
Blocpdb> 6 atoms in block 35
Block first atom: 358
Blocpdb> 8 atoms in block 36
Block first atom: 364
Blocpdb> 6 atoms in block 37
Block first atom: 372
Blocpdb> 9 atoms in block 38
Block first atom: 378
Blocpdb> 9 atoms in block 39
Block first atom: 387
Blocpdb> 12 atoms in block 40
Block first atom: 396
Blocpdb> 14 atoms in block 41
Block first atom: 408
Blocpdb> 9 atoms in block 42
Block first atom: 422
Blocpdb> 9 atoms in block 43
Block first atom: 431
Blocpdb> 11 atoms in block 44
Block first atom: 440
Blocpdb> 8 atoms in block 45
Block first atom: 451
Blocpdb> 11 atoms in block 46
Block first atom: 459
Blocpdb> 8 atoms in block 47
Block first atom: 470
Blocpdb> 11 atoms in block 48
Block first atom: 478
Blocpdb> 8 atoms in block 49
Block first atom: 489
Blocpdb> 9 atoms in block 50
Block first atom: 497
Blocpdb> 12 atoms in block 51
Block first atom: 506
Blocpdb> 9 atoms in block 52
Block first atom: 518
Blocpdb> 17 atoms in block 53
Block first atom: 527
Blocpdb> 6 atoms in block 54
Block first atom: 544
Blocpdb> 9 atoms in block 55
Block first atom: 550
Blocpdb> 6 atoms in block 56
Block first atom: 559
Blocpdb> 8 atoms in block 57
Block first atom: 565
Blocpdb> 8 atoms in block 58
Block first atom: 573
Blocpdb> 6 atoms in block 59
Block first atom: 581
Blocpdb> 17 atoms in block 60
Block first atom: 587
Blocpdb> 9 atoms in block 61
Block first atom: 604
Blocpdb> 7 atoms in block 62
Block first atom: 613
Blocpdb> 12 atoms in block 63
Block first atom: 620
Blocpdb> 12 atoms in block 64
Block first atom: 632
Blocpdb> 14 atoms in block 65
Block first atom: 644
Blocpdb> 10 atoms in block 66
Block first atom: 658
Blocpdb> 17 atoms in block 67
Block first atom: 668
Blocpdb> 8 atoms in block 68
Block first atom: 685
Blocpdb> 12 atoms in block 69
Block first atom: 693
Blocpdb> 11 atoms in block 70
Block first atom: 705
Blocpdb> 12 atoms in block 71
Block first atom: 716
Blocpdb> 13 atoms in block 72
Block first atom: 728
Blocpdb> 14 atoms in block 73
Block first atom: 741
Blocpdb> 9 atoms in block 74
Block first atom: 755
Blocpdb> 11 atoms in block 75
Block first atom: 764
Blocpdb> 14 atoms in block 76
Block first atom: 775
Blocpdb> 14 atoms in block 77
Block first atom: 789
Blocpdb> 9 atoms in block 78
Block first atom: 803
Blocpdb> 9 atoms in block 79
Block first atom: 812
Blocpdb> 8 atoms in block 80
Block first atom: 821
Blocpdb> 6 atoms in block 81
Block first atom: 829
Blocpdb> 9 atoms in block 82
Block first atom: 835
Blocpdb> 12 atoms in block 83
Block first atom: 844
Blocpdb> 9 atoms in block 84
Block first atom: 856
Blocpdb> 9 atoms in block 85
Block first atom: 865
Blocpdb> 17 atoms in block 86
Block first atom: 874
Blocpdb> 13 atoms in block 87
Block first atom: 891
Blocpdb> 9 atoms in block 88
Block first atom: 904
Blocpdb> 8 atoms in block 89
Block first atom: 913
Blocpdb> 9 atoms in block 90
Block first atom: 921
Blocpdb> 9 atoms in block 91
Block first atom: 930
Blocpdb> 10 atoms in block 92
Block first atom: 939
Blocpdb> 11 atoms in block 93
Block first atom: 949
Blocpdb> 5 atoms in block 94
Block first atom: 960
Blocpdb> 9 atoms in block 95
Block first atom: 965
Blocpdb> 9 atoms in block 96
Block first atom: 974
Blocpdb> 7 atoms in block 97
Block first atom: 983
Blocpdb> 14 atoms in block 98
Block first atom: 990
Blocpdb> 10 atoms in block 99
Block first atom: 1004
Blocpdb> 8 atoms in block 100
Block first atom: 1014
Blocpdb> 11 atoms in block 101
Block first atom: 1022
Blocpdb> 14 atoms in block 102
Block first atom: 1033
Blocpdb> 17 atoms in block 103
Block first atom: 1047
Blocpdb> 9 atoms in block 104
Block first atom: 1064
Blocpdb> 13 atoms in block 105
Block first atom: 1073
Blocpdb> 9 atoms in block 106
Block first atom: 1086
Blocpdb> 8 atoms in block 107
Block first atom: 1095
Blocpdb> 11 atoms in block 108
Block first atom: 1103
Blocpdb> 12 atoms in block 109
Block first atom: 1114
Blocpdb> 11 atoms in block 110
Block first atom: 1126
Blocpdb> 6 atoms in block 111
Block first atom: 1137
Blocpdb> 14 atoms in block 112
Block first atom: 1143
Blocpdb> 9 atoms in block 113
Block first atom: 1157
Blocpdb> 5 atoms in block 114
Block first atom: 1166
Blocpdb> 6 atoms in block 115
Block first atom: 1171
Blocpdb> 9 atoms in block 116
Block first atom: 1177
Blocpdb> 9 atoms in block 117
Block first atom: 1186
Blocpdb> 17 atoms in block 118
Block first atom: 1195
Blocpdb> 12 atoms in block 119
Block first atom: 1212
Blocpdb> 5 atoms in block 120
Block first atom: 1224
Blocpdb> 12 atoms in block 121
Block first atom: 1229
Blocpdb> 12 atoms in block 122
Block first atom: 1241
Blocpdb> 9 atoms in block 123
Block first atom: 1253
Blocpdb> 8 atoms in block 124
Block first atom: 1262
Blocpdb> 9 atoms in block 125
Block first atom: 1270
Blocpdb> 8 atoms in block 126
Block first atom: 1279
Blocpdb> 9 atoms in block 127
Block first atom: 1287
Blocpdb> 9 atoms in block 128
Block first atom: 1296
Blocpdb> 13 atoms in block 129
Block first atom: 1305
Blocpdb> 10 atoms in block 130
Block first atom: 1318
Blocpdb> 10 atoms in block 131
Block first atom: 1328
Blocpdb> 6 atoms in block 132
Block first atom: 1338
Blocpdb> 12 atoms in block 133
Block first atom: 1344
Blocpdb> 10 atoms in block 134
Block first atom: 1356
Blocpdb> 12 atoms in block 135
Block first atom: 1366
Blocpdb> 5 atoms in block 136
Block first atom: 1378
Blocpdb> 11 atoms in block 137
Block first atom: 1383
Blocpdb> 12 atoms in block 138
Block first atom: 1394
Blocpdb> 9 atoms in block 139
Block first atom: 1406
Blocpdb> 9 atoms in block 140
Block first atom: 1415
Blocpdb> 12 atoms in block 141
Block first atom: 1424
Blocpdb> 9 atoms in block 142
Block first atom: 1436
Blocpdb> 9 atoms in block 143
Block first atom: 1445
Blocpdb> 12 atoms in block 144
Block first atom: 1454
Blocpdb> 9 atoms in block 145
Block first atom: 1466
Blocpdb> 7 atoms in block 146
Block first atom: 1475
Blocpdb> 9 atoms in block 147
Block first atom: 1482
Blocpdb> 5 atoms in block 148
Block first atom: 1491
Blocpdb> 6 atoms in block 149
Block first atom: 1496
Blocpdb> 7 atoms in block 150
Block first atom: 1502
Blocpdb> 8 atoms in block 151
Block first atom: 1509
Blocpdb> 12 atoms in block 152
Block first atom: 1517
Blocpdb> 14 atoms in block 153
Block first atom: 1529
Blocpdb> 12 atoms in block 154
Block first atom: 1543
Blocpdb> 8 atoms in block 155
Block first atom: 1555
Blocpdb> 9 atoms in block 156
Block first atom: 1563
Blocpdb> 13 atoms in block 157
Block first atom: 1572
Blocpdb> 13 atoms in block 158
Block first atom: 1585
Blocpdb> 10 atoms in block 159
Block first atom: 1598
Blocpdb> 8 atoms in block 160
Block first atom: 1608
Blocpdb> 9 atoms in block 161
Block first atom: 1616
Blocpdb> 9 atoms in block 162
Block first atom: 1625
Blocpdb> 7 atoms in block 163
Block first atom: 1634
Blocpdb> 7 atoms in block 164
Block first atom: 1641
Blocpdb> 14 atoms in block 165
Block first atom: 1648
Blocpdb> 10 atoms in block 166
Block first atom: 1662
Blocpdb> 9 atoms in block 167
Block first atom: 1672
Blocpdb> 12 atoms in block 168
Block first atom: 1681
Blocpdb> 13 atoms in block 169
Block first atom: 1693
Blocpdb> 8 atoms in block 170
Block first atom: 1706
Blocpdb> 9 atoms in block 171
Block first atom: 1714
Blocpdb> 11 atoms in block 172
Block first atom: 1723
Blocpdb> 9 atoms in block 173
Block first atom: 1734
Blocpdb> 8 atoms in block 174
Block first atom: 1743
Blocpdb> 14 atoms in block 175
Block first atom: 1751
Blocpdb> 12 atoms in block 176
Block first atom: 1764
Blocpdb> 176 blocks.
Blocpdb> At most, 17 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> 713079 matrix lines read.
Prepmat> Matrix order = 5328
Prepmat> Matrix trace = 1560760.0000
Prepmat> Last element read: 5328 5328 53.5806
Prepmat> 15577 lines saved.
Prepmat> 13425 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: 1776
RTB> Total mass = 1776.0000
RTB> Number of atoms found in matrix: 1776
RTB> Number of blocks = 176
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 281585.7699
RTB> 74796 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 = 1056
Diagstd> Nb of non-zero elements: 74796
Diagstd> Projected matrix trace = 281585.7699
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1056 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 281585.7699
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 2.8269312 3.7692366 4.5432116 5.2721280
6.0399197 7.3133160 7.6666548 8.5129537 9.6879024
9.8930301 10.1797250 12.3414851 13.0988033 13.5562965
15.0160055 15.7666190 16.1230052 17.7572453 19.0543765
19.4836145 20.0129512 20.2200156 20.9213987 22.0020574
22.6904004 24.1685616 24.8431559 26.0532566 27.1748787
28.7954926 29.8177317 30.5241802 31.1489331 32.5754857
34.0808313 35.2874901 35.4912775 36.4596698 36.8398220
37.7105861 38.4849908 38.9738786 39.8862909 40.7880875
42.1737264 42.9954656 43.3130170 43.9523733 44.7797207
45.3614036 45.8848935 46.5528735 47.0378134 49.1659152
50.7223823 51.1733238 51.6769555 52.7516309 53.1921705
53.8234845 54.6806714 55.6135124 56.1200412 56.9453758
57.8245380 58.5079531 59.4157551 60.0958495 61.7809887
62.8787855 63.5431405 64.3677917 65.0635953 65.8735040
66.8028123 67.1923271 67.6542750 67.9326178 68.5447546
69.3538831 70.5598482 71.1756258 71.6680509 73.1327087
73.9023727 74.0680822 74.4106786 75.2421553 76.3735510
77.3637007 77.7369935 78.9873219 79.5918291 79.9039058
81.2800980 81.8092573 82.3870196 83.0661509 83.6702555
84.0370432
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034318 0.0034334 0.0034342 0.0034345
0.0034353 182.5798734 210.8249362 231.4604340 249.3378756
266.8768253 293.6651755 300.6756344 316.8366525 337.9949084
341.5544481 346.4681394 381.4863409 393.0167781 399.8211920
420.7968597 431.1859163 436.0319136 457.5969045 474.0156179
479.3249592 485.7925481 488.2992126 496.6959716 509.3624508
517.2688908 533.8517637 541.2509387 554.2762734 566.0816630
582.7167958 592.9698088 599.9530762 606.0617398 619.7845271
633.9432327 645.0682472 646.9282198 655.6946589 659.1041435
666.8481053 673.6603305 677.9256935 685.8151998 693.5247290
705.2064381 712.0436343 714.6682661 719.9236580 726.6678907
731.3723244 735.5803922 740.9152380 744.7642865 761.4253718
773.3838557 776.8140885 780.6273087 788.7025149 791.9889757
796.6749933 802.9938138 809.8143021 813.4938441 819.4538728
825.7552929 830.6206668 837.0397655 841.8166660 853.5376985
861.0876344 865.6246554 871.2235075 875.9197307 881.3545743
887.5496422 890.1334498 893.1880471 895.0235354 899.0469942
904.3377736 912.1664593 916.1380634 919.3017293 928.6479619
933.5218152 934.5678358 936.7267295 941.9457565 949.0012228
955.1331054 957.4346709 965.1036869 968.7897224 970.6871593
979.0105898 982.1922553 985.6544258 989.7085537 993.3008974
995.4756975
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1776
Rtb_to_modes> Number of blocs = 176
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: 9.9872E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9874E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9969E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.827
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.769
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.543
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.272
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.040
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.313
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.667
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.513
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.688
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.893
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.18
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 12.34
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.10
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 13.56
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 15.77
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.12
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.76
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 19.05
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 19.48
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 20.01
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 20.22
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.92
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 22.00
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 22.69
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 24.17
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 24.84
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 26.05
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 27.17
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 28.80
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 29.82
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 30.52
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 31.15
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 32.58
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 34.08
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 35.29
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 35.49
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 36.46
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 36.84
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 37.71
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 38.48
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 38.97
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 39.89
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 40.79
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 42.17
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 43.00
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 43.31
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 43.95
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 44.78
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 45.36
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 45.88
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 46.55
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 47.04
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 49.17
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 50.72
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 51.17
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 51.68
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 52.75
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 53.19
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 53.82
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 54.68
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 55.61
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 56.12
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 56.95
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 57.82
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 58.51
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 59.42
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 60.10
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 61.78
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 62.88
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 63.54
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 64.37
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 65.06
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 65.87
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 66.80
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 67.19
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 67.65
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 67.93
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 68.54
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 69.35
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 70.56
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 71.18
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 71.67
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 73.13
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 73.90
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 74.07
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 74.41
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 75.24
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 76.37
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 77.36
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 77.74
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 78.99
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 79.59
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 79.90
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 81.28
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 81.81
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 82.39
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 83.07
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 83.67
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 84.04
Rtb_to_modes> 106 vectors, with 1056 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 0.99999 1.00000 1.00001 1.00000
1.00000 0.99999 1.00002 1.00001 1.00002
1.00006 0.99998 1.00001 1.00003 0.99999
0.99996 1.00003 1.00002 1.00000 0.99999
1.00001 1.00000 1.00001 1.00000 0.99998
0.99998 1.00001 0.99996 1.00000 1.00001
1.00001 0.99999 0.99997 1.00000 0.99998
0.99999 0.99997 1.00004 0.99999 0.99999
1.00002 0.99999 0.99999 0.99997 0.99999
1.00001 1.00001 1.00002 0.99996 1.00000
0.99997 1.00001 1.00001 1.00000 1.00001
1.00002 1.00000 1.00002 1.00002 0.99999
1.00000 0.99999 0.99999 1.00001 1.00000
0.99997 1.00000 1.00000 0.99998 1.00000
0.99999 1.00005 1.00000 1.00001 1.00001
1.00002 0.99998 1.00001 1.00000 1.00001
1.00001 1.00000 1.00000 1.00000 0.99998
0.99999 0.99998 0.99999 0.99999 1.00001
1.00004 1.00001 1.00000 0.99998 1.00000
0.99999 0.99999 1.00001 1.00001 0.99998
1.00000 1.00001 1.00001 0.99999 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 31968 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 0.99999 1.00000 1.00001 1.00000
1.00000 0.99999 1.00002 1.00001 1.00002
1.00006 0.99998 1.00001 1.00003 0.99999
0.99996 1.00003 1.00002 1.00000 0.99999
1.00001 1.00000 1.00001 1.00000 0.99998
0.99998 1.00001 0.99996 1.00000 1.00001
1.00001 0.99999 0.99997 1.00000 0.99998
0.99999 0.99997 1.00004 0.99999 0.99999
1.00002 0.99999 0.99999 0.99997 0.99999
1.00001 1.00001 1.00002 0.99996 1.00000
0.99997 1.00001 1.00001 1.00000 1.00001
1.00002 1.00000 1.00002 1.00002 0.99999
1.00000 0.99999 0.99999 1.00001 1.00000
0.99997 1.00000 1.00000 0.99998 1.00000
0.99999 1.00005 1.00000 1.00001 1.00001
1.00002 0.99998 1.00001 1.00000 1.00001
1.00001 1.00000 1.00000 1.00000 0.99998
0.99999 0.99998 0.99999 0.99999 1.00001
1.00004 1.00001 1.00000 0.99998 1.00000
0.99999 0.99999 1.00001 1.00001 0.99998
1.00000 1.00001 1.00001 0.99999 0.99999
1.00001
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> 2401042136593881504.eigenfacs
Openam> file on opening on unit 10:
2401042136593881504.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401042136593881504.atom
Openam> file on opening on unit 11:
2401042136593881504.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 = 176
First residue number = 86
Last residue number = 261
Number of atoms found = 1776
Mean number per residue = 10.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9872E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9874E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9969E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 13.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 15.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 19.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 20.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 20.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 22.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 22.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 24.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 24.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 26.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 27.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 28.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 29.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 30.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 31.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 32.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 34.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 35.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 35.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 36.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 36.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 37.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 38.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 38.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 39.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 40.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 42.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 43.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 43.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 43.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 44.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 45.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 45.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 46.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 47.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 49.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 50.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 51.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 51.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 52.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 53.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 53.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 54.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 55.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 56.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 56.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 57.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 58.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 59.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 60.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 61.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 62.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 63.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 64.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 65.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 65.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 66.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 67.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 67.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 67.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 68.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 69.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 70.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 71.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 71.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 73.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 73.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 74.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 74.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 75.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 76.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 77.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 77.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 78.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 79.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 79.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 81.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 81.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 82.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 83.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 83.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 84.04
Bfactors> 106 vectors, 5328 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 2.827000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.025 +/- 0.03
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.025
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401042136593881504 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=0
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=100
2401042136593881504.eigenfacs
2401042136593881504.atom
making animated gifs
11 models are in 2401042136593881504.7.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 2401042136593881504.7.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 2401042136593881504.7.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 2401042136593881504 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=0
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=100
2401042136593881504.eigenfacs
2401042136593881504.atom
making animated gifs
11 models are in 2401042136593881504.8.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 2401042136593881504.8.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 2401042136593881504.8.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 2401042136593881504 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=0
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=100
2401042136593881504.eigenfacs
2401042136593881504.atom
making animated gifs
11 models are in 2401042136593881504.9.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 2401042136593881504.9.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 2401042136593881504.9.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 2401042136593881504 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=0
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=100
2401042136593881504.eigenfacs
2401042136593881504.atom
making animated gifs
11 models are in 2401042136593881504.10.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 2401042136593881504.10.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 2401042136593881504.10.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 2401042136593881504 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=-20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=0
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=20
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=40
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=60
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=80
2401042136593881504.eigenfacs
2401042136593881504.atom
calculating perturbed structure for DQ=100
2401042136593881504.eigenfacs
2401042136593881504.atom
making animated gifs
11 models are in 2401042136593881504.11.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 2401042136593881504.11.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 2401042136593881504.11.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
2401042136593881504.10.pdb
2401042136593881504.11.pdb
2401042136593881504.7.pdb
2401042136593881504.8.pdb
2401042136593881504.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m16.887s
user 0m16.818s
sys 0m0.048s
../../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: 2401042136593881504.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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