*** NMA_alphafold_L12 ***
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 = 2403040902131503511.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 2403040902131503511.atom to be opened.
Openam> File opened: 2403040902131503511.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 = 657
First residue number = 1
Last residue number = 657
Number of atoms found = 5208
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 1.433553 +/- 16.289470 From: -45.875000 To: 35.188000
= 2.576070 +/- 13.219032 From: -29.672000 To: 34.781000
= 1.232457 +/- 19.909620 From: -47.281000 To: 50.469000
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 1.5262 % Filled.
Pdbmat> 1862927 non-zero elements.
Pdbmat> 203798 atom-atom interactions.
Pdbmat> Number per atom= 78.26 +/- 23.32
Maximum number = 130
Minimum number = 7
Pdbmat> Matrix trace = 4.075960E+06
Pdbmat> Larger element = 502.762
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
657 non-zero elements, NRBL set to 4
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 = 2403040902131503511.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2403040902131503511.atom to be opened.
Openam> file on opening on unit 11:
2403040902131503511.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5208 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 657 residues.
Blocpdb> 33 atoms in block 1
Block first atom: 1
Blocpdb> 33 atoms in block 2
Block first atom: 34
Blocpdb> 32 atoms in block 3
Block first atom: 67
Blocpdb> 33 atoms in block 4
Block first atom: 99
Blocpdb> 33 atoms in block 5
Block first atom: 132
Blocpdb> 33 atoms in block 6
Block first atom: 165
Blocpdb> 36 atoms in block 7
Block first atom: 198
Blocpdb> 28 atoms in block 8
Block first atom: 234
Blocpdb> 33 atoms in block 9
Block first atom: 262
Blocpdb> 24 atoms in block 10
Block first atom: 295
Blocpdb> 27 atoms in block 11
Block first atom: 319
Blocpdb> 39 atoms in block 12
Block first atom: 346
Blocpdb> 34 atoms in block 13
Block first atom: 385
Blocpdb> 30 atoms in block 14
Block first atom: 419
Blocpdb> 31 atoms in block 15
Block first atom: 449
Blocpdb> 26 atoms in block 16
Block first atom: 480
Blocpdb> 33 atoms in block 17
Block first atom: 506
Blocpdb> 25 atoms in block 18
Block first atom: 539
Blocpdb> 34 atoms in block 19
Block first atom: 564
Blocpdb> 35 atoms in block 20
Block first atom: 598
Blocpdb> 29 atoms in block 21
Block first atom: 633
Blocpdb> 38 atoms in block 22
Block first atom: 662
Blocpdb> 29 atoms in block 23
Block first atom: 700
Blocpdb> 40 atoms in block 24
Block first atom: 729
Blocpdb> 27 atoms in block 25
Block first atom: 769
Blocpdb> 33 atoms in block 26
Block first atom: 796
Blocpdb> 31 atoms in block 27
Block first atom: 829
Blocpdb> 30 atoms in block 28
Block first atom: 860
Blocpdb> 33 atoms in block 29
Block first atom: 890
Blocpdb> 32 atoms in block 30
Block first atom: 923
Blocpdb> 35 atoms in block 31
Block first atom: 955
Blocpdb> 30 atoms in block 32
Block first atom: 990
Blocpdb> 30 atoms in block 33
Block first atom: 1020
Blocpdb> 28 atoms in block 34
Block first atom: 1050
Blocpdb> 38 atoms in block 35
Block first atom: 1078
Blocpdb> 37 atoms in block 36
Block first atom: 1116
Blocpdb> 32 atoms in block 37
Block first atom: 1153
Blocpdb> 32 atoms in block 38
Block first atom: 1185
Blocpdb> 35 atoms in block 39
Block first atom: 1217
Blocpdb> 29 atoms in block 40
Block first atom: 1252
Blocpdb> 35 atoms in block 41
Block first atom: 1281
Blocpdb> 27 atoms in block 42
Block first atom: 1316
Blocpdb> 28 atoms in block 43
Block first atom: 1343
Blocpdb> 35 atoms in block 44
Block first atom: 1371
Blocpdb> 32 atoms in block 45
Block first atom: 1406
Blocpdb> 35 atoms in block 46
Block first atom: 1438
Blocpdb> 29 atoms in block 47
Block first atom: 1473
Blocpdb> 28 atoms in block 48
Block first atom: 1502
Blocpdb> 33 atoms in block 49
Block first atom: 1530
Blocpdb> 26 atoms in block 50
Block first atom: 1563
Blocpdb> 33 atoms in block 51
Block first atom: 1589
Blocpdb> 34 atoms in block 52
Block first atom: 1622
Blocpdb> 25 atoms in block 53
Block first atom: 1656
Blocpdb> 38 atoms in block 54
Block first atom: 1681
Blocpdb> 35 atoms in block 55
Block first atom: 1719
Blocpdb> 34 atoms in block 56
Block first atom: 1754
Blocpdb> 36 atoms in block 57
Block first atom: 1788
Blocpdb> 34 atoms in block 58
Block first atom: 1824
Blocpdb> 30 atoms in block 59
Block first atom: 1858
Blocpdb> 27 atoms in block 60
Block first atom: 1888
Blocpdb> 32 atoms in block 61
Block first atom: 1915
Blocpdb> 39 atoms in block 62
Block first atom: 1947
Blocpdb> 33 atoms in block 63
Block first atom: 1986
Blocpdb> 25 atoms in block 64
Block first atom: 2019
Blocpdb> 37 atoms in block 65
Block first atom: 2044
Blocpdb> 39 atoms in block 66
Block first atom: 2081
Blocpdb> 31 atoms in block 67
Block first atom: 2120
Blocpdb> 30 atoms in block 68
Block first atom: 2151
Blocpdb> 29 atoms in block 69
Block first atom: 2181
Blocpdb> 31 atoms in block 70
Block first atom: 2210
Blocpdb> 30 atoms in block 71
Block first atom: 2241
Blocpdb> 29 atoms in block 72
Block first atom: 2271
Blocpdb> 35 atoms in block 73
Block first atom: 2300
Blocpdb> 33 atoms in block 74
Block first atom: 2335
Blocpdb> 33 atoms in block 75
Block first atom: 2368
Blocpdb> 34 atoms in block 76
Block first atom: 2401
Blocpdb> 32 atoms in block 77
Block first atom: 2435
Blocpdb> 28 atoms in block 78
Block first atom: 2467
Blocpdb> 34 atoms in block 79
Block first atom: 2495
Blocpdb> 34 atoms in block 80
Block first atom: 2529
Blocpdb> 21 atoms in block 81
Block first atom: 2563
Blocpdb> 18 atoms in block 82
Block first atom: 2584
Blocpdb> 18 atoms in block 83
Block first atom: 2602
Blocpdb> 22 atoms in block 84
Block first atom: 2620
Blocpdb> 33 atoms in block 85
Block first atom: 2642
Blocpdb> 33 atoms in block 86
Block first atom: 2675
Blocpdb> 32 atoms in block 87
Block first atom: 2708
Blocpdb> 33 atoms in block 88
Block first atom: 2740
Blocpdb> 33 atoms in block 89
Block first atom: 2773
Blocpdb> 33 atoms in block 90
Block first atom: 2806
Blocpdb> 36 atoms in block 91
Block first atom: 2839
Blocpdb> 28 atoms in block 92
Block first atom: 2875
Blocpdb> 33 atoms in block 93
Block first atom: 2903
Blocpdb> 24 atoms in block 94
Block first atom: 2936
Blocpdb> 27 atoms in block 95
Block first atom: 2960
Blocpdb> 39 atoms in block 96
Block first atom: 2987
Blocpdb> 34 atoms in block 97
Block first atom: 3026
Blocpdb> 30 atoms in block 98
Block first atom: 3060
Blocpdb> 31 atoms in block 99
Block first atom: 3090
Blocpdb> 26 atoms in block 100
Block first atom: 3121
Blocpdb> 33 atoms in block 101
Block first atom: 3147
Blocpdb> 25 atoms in block 102
Block first atom: 3180
Blocpdb> 34 atoms in block 103
Block first atom: 3205
Blocpdb> 35 atoms in block 104
Block first atom: 3239
Blocpdb> 29 atoms in block 105
Block first atom: 3274
Blocpdb> 38 atoms in block 106
Block first atom: 3303
Blocpdb> 29 atoms in block 107
Block first atom: 3341
Blocpdb> 40 atoms in block 108
Block first atom: 3370
Blocpdb> 27 atoms in block 109
Block first atom: 3410
Blocpdb> 33 atoms in block 110
Block first atom: 3437
Blocpdb> 31 atoms in block 111
Block first atom: 3470
Blocpdb> 30 atoms in block 112
Block first atom: 3501
Blocpdb> 33 atoms in block 113
Block first atom: 3531
Blocpdb> 32 atoms in block 114
Block first atom: 3564
Blocpdb> 35 atoms in block 115
Block first atom: 3596
Blocpdb> 30 atoms in block 116
Block first atom: 3631
Blocpdb> 30 atoms in block 117
Block first atom: 3661
Blocpdb> 28 atoms in block 118
Block first atom: 3691
Blocpdb> 38 atoms in block 119
Block first atom: 3719
Blocpdb> 37 atoms in block 120
Block first atom: 3757
Blocpdb> 32 atoms in block 121
Block first atom: 3794
Blocpdb> 32 atoms in block 122
Block first atom: 3826
Blocpdb> 35 atoms in block 123
Block first atom: 3858
Blocpdb> 29 atoms in block 124
Block first atom: 3893
Blocpdb> 35 atoms in block 125
Block first atom: 3922
Blocpdb> 27 atoms in block 126
Block first atom: 3957
Blocpdb> 28 atoms in block 127
Block first atom: 3984
Blocpdb> 35 atoms in block 128
Block first atom: 4012
Blocpdb> 32 atoms in block 129
Block first atom: 4047
Blocpdb> 35 atoms in block 130
Block first atom: 4079
Blocpdb> 29 atoms in block 131
Block first atom: 4114
Blocpdb> 28 atoms in block 132
Block first atom: 4143
Blocpdb> 33 atoms in block 133
Block first atom: 4171
Blocpdb> 26 atoms in block 134
Block first atom: 4204
Blocpdb> 33 atoms in block 135
Block first atom: 4230
Blocpdb> 34 atoms in block 136
Block first atom: 4263
Blocpdb> 25 atoms in block 137
Block first atom: 4297
Blocpdb> 38 atoms in block 138
Block first atom: 4322
Blocpdb> 35 atoms in block 139
Block first atom: 4360
Blocpdb> 34 atoms in block 140
Block first atom: 4395
Blocpdb> 36 atoms in block 141
Block first atom: 4429
Blocpdb> 34 atoms in block 142
Block first atom: 4465
Blocpdb> 30 atoms in block 143
Block first atom: 4499
Blocpdb> 27 atoms in block 144
Block first atom: 4529
Blocpdb> 32 atoms in block 145
Block first atom: 4556
Blocpdb> 39 atoms in block 146
Block first atom: 4588
Blocpdb> 33 atoms in block 147
Block first atom: 4627
Blocpdb> 25 atoms in block 148
Block first atom: 4660
Blocpdb> 37 atoms in block 149
Block first atom: 4685
Blocpdb> 39 atoms in block 150
Block first atom: 4722
Blocpdb> 31 atoms in block 151
Block first atom: 4761
Blocpdb> 30 atoms in block 152
Block first atom: 4792
Blocpdb> 29 atoms in block 153
Block first atom: 4822
Blocpdb> 31 atoms in block 154
Block first atom: 4851
Blocpdb> 30 atoms in block 155
Block first atom: 4882
Blocpdb> 29 atoms in block 156
Block first atom: 4912
Blocpdb> 35 atoms in block 157
Block first atom: 4941
Blocpdb> 33 atoms in block 158
Block first atom: 4976
Blocpdb> 33 atoms in block 159
Block first atom: 5009
Blocpdb> 34 atoms in block 160
Block first atom: 5042
Blocpdb> 32 atoms in block 161
Block first atom: 5076
Blocpdb> 28 atoms in block 162
Block first atom: 5108
Blocpdb> 34 atoms in block 163
Block first atom: 5136
Blocpdb> 34 atoms in block 164
Block first atom: 5170
Blocpdb> 5 atoms in block 165
Block first atom: 5203
Blocpdb> 165 blocks.
Blocpdb> At most, 40 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> 1863092 matrix lines read.
Prepmat> Matrix order = 15624
Prepmat> Matrix trace = 4075960.0000
Prepmat> Last element read: 15624 15624 21.6352
Prepmat> 13696 lines saved.
Prepmat> 12301 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: 5208
RTB> Total mass = 5208.0000
RTB> Number of atoms found in matrix: 5208
RTB> Number of blocks = 165
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 184446.7468
RTB> 47709 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 = 990
Diagstd> Nb of non-zero elements: 47709
Diagstd> Projected matrix trace = 184446.7468
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 990 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 184446.7468
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1059108 0.2555103 0.3071766 0.4059331
0.4736481 0.7487333 0.9888403 1.1471361 1.3384021
1.4543768 1.5836739 2.0203844 2.1004830 2.2562667
2.3701253 2.6103733 2.9306569 2.9656387 3.1701384
3.9967289 4.1525702 4.5813990 4.8544944 5.3964717
5.9399025 6.0669270 6.5732743 6.9517720 7.1610299
7.6648146 7.8734466 8.2137627 8.2962349 8.9472555
9.3292395 9.5094866 9.7493273 10.3616990 11.0311768
11.7012444 12.4710870 12.7053539 13.0106503 13.1941975
14.2154211 14.5781251 14.8512722 15.6623459 16.3887973
16.5160240 16.6391856 17.0808740 17.6069445 18.0937990
18.4295175 18.9219298 19.4641399 19.7414235 20.9407335
21.0455653 21.9143257 22.0559762 22.7974927 23.4138577
24.2522558 24.7614561 25.1956064 25.4474070 26.0241307
26.2698607 26.6887479 27.0404433 27.4232814 27.8251990
28.6612045 28.9627174 29.2055829 29.7390392 30.3040711
31.1421223 31.6513589 31.9915267 32.5370664 33.0609854
33.3444541 33.6792608 34.0865931 34.3874765 34.4547435
34.9490100 35.0417891 35.2693671 35.6759195 35.9683853
36.5138379 36.8295272 37.4381364 38.3968314 39.1789727
39.3594120
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034316 0.0034321 0.0034337 0.0034339 0.0034341
0.0034343 35.3399012 54.8907924 60.1851468 69.1866803
74.7348540 93.9634273 107.9837380 116.3061679 125.6286184
130.9585167 136.6558267 154.3520075 157.3819299 163.1137235
167.1786960 175.4472607 185.8993060 187.0055097 193.3456433
217.0939023 221.2859158 232.4311540 239.2584491 252.2610693
264.6579454 267.4728243 278.4108517 286.3143011 290.5915791
300.6395468 304.7036960 311.2191818 312.7777126 324.8180833
331.6793250 334.8681297 339.0647213 349.5511749 360.6668306
371.4593589 383.4841639 387.0692429 391.6920721 394.4452861
409.4257425 414.6160570 418.4823148 429.7577190 439.6112747
441.3143328 442.9567390 448.7973918 455.6561930 461.9129738
466.1785249 472.3653080 479.0853479 482.4857740 496.9254334
498.1677147 508.3459126 509.9861973 518.4881358 525.4504490
534.7753123 540.3602207 545.0767874 547.7937186 553.9663637
556.5756024 560.9955030 564.6797113 568.6630241 572.8150493
581.3564554 584.4063595 586.8515010 592.1868333 597.7860397
605.9954774 610.9300119 614.2041740 619.4189349 624.3860298
627.0570946 630.1973257 633.9968187 636.7888255 637.4113479
641.9670231 642.8185728 644.9025784 648.6088471 651.2620187
656.1815600 659.0120449 664.4348318 672.8882945 679.7070939
681.2704962
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5208
Rtb_to_modes> Number of blocs = 165
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: 9.9864E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9894E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1059
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2555
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3072
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4059
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.4736
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.7487
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.9888
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.147
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.338
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 1.454
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 1.584
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.020
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2.100
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2.256
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2.370
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2.610
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.931
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.966
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 3.170
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.997
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 4.153
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 4.581
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.854
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 5.396
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 5.940
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 6.067
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 6.573
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 6.952
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 7.161
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 7.665
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 7.873
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 8.214
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 8.296
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 8.947
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 9.329
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 9.509
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 9.749
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 10.36
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 11.03
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.70
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 12.47
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 12.71
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.01
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 13.19
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 14.22
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 14.58
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 14.85
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 15.66
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 16.39
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 16.52
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 16.64
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 17.08
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 17.61
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 18.09
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 18.43
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 18.92
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 19.46
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 19.74
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 20.94
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 21.05
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 21.91
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 22.06
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 22.80
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 23.41
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 24.25
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 24.76
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 25.20
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 25.45
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 26.02
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 26.27
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 26.69
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 27.04
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 27.42
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 27.83
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 28.66
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 28.96
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 29.21
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 29.74
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 30.30
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 31.14
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 31.65
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 31.99
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 32.54
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 33.06
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 33.34
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 33.68
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 34.09
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 34.39
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 34.45
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 34.95
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 35.04
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 35.27
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 35.68
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 35.97
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 36.51
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 36.83
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 37.44
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 38.40
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 39.18
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 39.36
Rtb_to_modes> 106 vectors, with 990 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 0.99998 1.00001 0.99998
1.00000 1.00000 1.00002 1.00000 1.00001
1.00002 1.00000 0.99998 1.00000 0.99998
1.00003 1.00000 1.00002 0.99999 1.00000
0.99999 0.99999 0.99999 1.00000 1.00002
1.00003 1.00001 1.00002 0.99998 1.00000
0.99999 0.99998 1.00000 1.00003 0.99999
1.00002 1.00005 1.00000 0.99998 0.99999
1.00001 1.00001 0.99999 1.00002 1.00001
1.00001 1.00002 0.99997 1.00001 0.99999
1.00000 1.00000 0.99999 0.99995 1.00001
1.00000 0.99995 1.00001 0.99999 1.00004
1.00002 1.00003 1.00001 1.00001 0.99999
1.00002 1.00001 0.99999 1.00000 1.00000
1.00000 0.99997 0.99999 0.99998 1.00001
0.99999 0.99999 1.00002 1.00000 1.00004
0.99998 1.00000 1.00003 1.00003 0.99999
0.99998 1.00002 1.00001 0.99998 1.00002
1.00000 1.00001 1.00003 1.00002 0.99998
1.00001 0.99998 1.00000 0.99999 1.00000
1.00000 1.00001 1.00002 1.00000 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 93744 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 0.99998 1.00001 0.99998
1.00000 1.00000 1.00002 1.00000 1.00001
1.00002 1.00000 0.99998 1.00000 0.99998
1.00003 1.00000 1.00002 0.99999 1.00000
0.99999 0.99999 0.99999 1.00000 1.00002
1.00003 1.00001 1.00002 0.99998 1.00000
0.99999 0.99998 1.00000 1.00003 0.99999
1.00002 1.00005 1.00000 0.99998 0.99999
1.00001 1.00001 0.99999 1.00002 1.00001
1.00001 1.00002 0.99997 1.00001 0.99999
1.00000 1.00000 0.99999 0.99995 1.00001
1.00000 0.99995 1.00001 0.99999 1.00004
1.00002 1.00003 1.00001 1.00001 0.99999
1.00002 1.00001 0.99999 1.00000 1.00000
1.00000 0.99997 0.99999 0.99998 1.00001
0.99999 0.99999 1.00002 1.00000 1.00004
0.99998 1.00000 1.00003 1.00003 0.99999
0.99998 1.00002 1.00001 0.99998 1.00002
1.00000 1.00001 1.00003 1.00002 0.99998
1.00001 0.99998 1.00000 0.99999 1.00000
1.00000 1.00001 1.00002 1.00000 1.00000
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000 0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6: 0.000-0.000-0.000-0.000 0.000
Vector 7: 0.000 0.000-0.000-0.000 0.000-0.000
Vector 8: 0.000-0.000-0.000-0.000-0.000-0.000-0.000
Vector 9: 0.000 0.000-0.000 0.000-0.000 0.000-0.000 0.000
Vector 10: 0.000-0.000-0.000-0.000 0.000 0.000-0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2403040902131503511.eigenfacs
Openam> file on opening on unit 10:
2403040902131503511.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403040902131503511.atom
Openam> file on opening on unit 11:
2403040902131503511.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 = 657
First residue number = 1
Last residue number = 657
Number of atoms found = 5208
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: 9.9864E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4059
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4736
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.147
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.338
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 1.454
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 1.584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2.100
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2.256
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2.610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.966
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 3.170
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 4.153
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 4.581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 5.396
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 5.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 6.067
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 6.573
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 6.952
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 7.161
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 7.665
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 7.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 8.214
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 8.296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 8.947
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.329
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 9.509
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 9.749
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 10.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 11.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 12.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 12.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 13.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 14.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 14.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 14.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 15.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 16.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 16.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 16.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 17.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 17.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 18.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 18.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 18.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 19.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 19.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 20.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 21.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 22.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 22.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 23.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 24.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 24.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 25.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 25.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 26.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 26.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 26.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 27.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 27.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 27.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 28.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 28.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 29.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 29.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 30.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 31.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 31.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 31.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 32.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 33.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 33.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 33.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 34.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 34.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 34.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 34.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 35.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 35.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 35.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 35.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 36.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 36.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 37.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 38.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 39.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 39.36
Bfactors> 106 vectors, 15624 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.105900
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= -0.521 for 657 C-alpha atoms.
Bfactors> = 0.116 +/- 0.30
Bfactors> = 87.043 +/- 13.60
Bfactors> Shiftng-fct= 86.927
Bfactors> Scaling-fct= 44.945
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403040902131503511 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=0
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=100
2403040902131503511.eigenfacs
2403040902131503511.atom
making animated gifs
11 models are in 2403040902131503511.7.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 2403040902131503511.7.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 2403040902131503511.7.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 2403040902131503511 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=0
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=100
2403040902131503511.eigenfacs
2403040902131503511.atom
making animated gifs
11 models are in 2403040902131503511.8.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 2403040902131503511.8.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 2403040902131503511.8.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 2403040902131503511 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=0
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=100
2403040902131503511.eigenfacs
2403040902131503511.atom
making animated gifs
11 models are in 2403040902131503511.9.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 2403040902131503511.9.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 2403040902131503511.9.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 2403040902131503511 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=0
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=100
2403040902131503511.eigenfacs
2403040902131503511.atom
making animated gifs
11 models are in 2403040902131503511.10.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 2403040902131503511.10.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 2403040902131503511.10.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 2403040902131503511 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=-20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=0
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=20
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=40
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=60
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=80
2403040902131503511.eigenfacs
2403040902131503511.atom
calculating perturbed structure for DQ=100
2403040902131503511.eigenfacs
2403040902131503511.atom
making animated gifs
11 models are in 2403040902131503511.11.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 2403040902131503511.11.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 2403040902131503511.11.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
2403040902131503511.10.pdb
2403040902131503511.11.pdb
2403040902131503511.7.pdb
2403040902131503511.8.pdb
2403040902131503511.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m23.139s
user 0m23.025s
sys 0m0.088s
../../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: 2403040902131503511.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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