*** NMA_rosettafold_2round(rank4) ***
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 = 2403040904371504613.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 2403040904371504613.atom to be opened.
Openam> File opened: 2403040904371504613.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 = 685
First residue number = 1
Last residue number = 685
Number of atoms found = 5334
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -3.300487 +/- 18.710635 From: -51.750000 To: 36.156000
= -1.015436 +/- 12.546769 From: -35.125000 To: 29.031000
= 1.873113 +/- 17.635944 From: -38.344000 To: 47.656000
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 1.5147 % Filled.
Pdbmat> 1939428 non-zero elements.
Pdbmat> 212273 atom-atom interactions.
Pdbmat> Number per atom= 79.59 +/- 22.40
Maximum number = 136
Minimum number = 8
Pdbmat> Matrix trace = 4.245460E+06
Pdbmat> Larger element = 494.607
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
685 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 = 2403040904371504613.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 2403040904371504613.atom to be opened.
Openam> file on opening on unit 11:
2403040904371504613.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5334 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> 685 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> 18 atoms in block 84
Block first atom: 2620
Blocpdb> 18 atoms in block 85
Block first atom: 2638
Blocpdb> 18 atoms in block 86
Block first atom: 2656
Blocpdb> 18 atoms in block 87
Block first atom: 2674
Blocpdb> 18 atoms in block 88
Block first atom: 2692
Blocpdb> 18 atoms in block 89
Block first atom: 2710
Blocpdb> 18 atoms in block 90
Block first atom: 2728
Blocpdb> 22 atoms in block 91
Block first atom: 2746
Blocpdb> 33 atoms in block 92
Block first atom: 2768
Blocpdb> 33 atoms in block 93
Block first atom: 2801
Blocpdb> 32 atoms in block 94
Block first atom: 2834
Blocpdb> 33 atoms in block 95
Block first atom: 2866
Blocpdb> 33 atoms in block 96
Block first atom: 2899
Blocpdb> 33 atoms in block 97
Block first atom: 2932
Blocpdb> 36 atoms in block 98
Block first atom: 2965
Blocpdb> 28 atoms in block 99
Block first atom: 3001
Blocpdb> 33 atoms in block 100
Block first atom: 3029
Blocpdb> 24 atoms in block 101
Block first atom: 3062
Blocpdb> 27 atoms in block 102
Block first atom: 3086
Blocpdb> 39 atoms in block 103
Block first atom: 3113
Blocpdb> 34 atoms in block 104
Block first atom: 3152
Blocpdb> 30 atoms in block 105
Block first atom: 3186
Blocpdb> 31 atoms in block 106
Block first atom: 3216
Blocpdb> 26 atoms in block 107
Block first atom: 3247
Blocpdb> 33 atoms in block 108
Block first atom: 3273
Blocpdb> 25 atoms in block 109
Block first atom: 3306
Blocpdb> 34 atoms in block 110
Block first atom: 3331
Blocpdb> 35 atoms in block 111
Block first atom: 3365
Blocpdb> 29 atoms in block 112
Block first atom: 3400
Blocpdb> 38 atoms in block 113
Block first atom: 3429
Blocpdb> 29 atoms in block 114
Block first atom: 3467
Blocpdb> 40 atoms in block 115
Block first atom: 3496
Blocpdb> 27 atoms in block 116
Block first atom: 3536
Blocpdb> 33 atoms in block 117
Block first atom: 3563
Blocpdb> 31 atoms in block 118
Block first atom: 3596
Blocpdb> 30 atoms in block 119
Block first atom: 3627
Blocpdb> 33 atoms in block 120
Block first atom: 3657
Blocpdb> 32 atoms in block 121
Block first atom: 3690
Blocpdb> 35 atoms in block 122
Block first atom: 3722
Blocpdb> 30 atoms in block 123
Block first atom: 3757
Blocpdb> 30 atoms in block 124
Block first atom: 3787
Blocpdb> 28 atoms in block 125
Block first atom: 3817
Blocpdb> 38 atoms in block 126
Block first atom: 3845
Blocpdb> 37 atoms in block 127
Block first atom: 3883
Blocpdb> 32 atoms in block 128
Block first atom: 3920
Blocpdb> 32 atoms in block 129
Block first atom: 3952
Blocpdb> 35 atoms in block 130
Block first atom: 3984
Blocpdb> 29 atoms in block 131
Block first atom: 4019
Blocpdb> 35 atoms in block 132
Block first atom: 4048
Blocpdb> 27 atoms in block 133
Block first atom: 4083
Blocpdb> 28 atoms in block 134
Block first atom: 4110
Blocpdb> 35 atoms in block 135
Block first atom: 4138
Blocpdb> 32 atoms in block 136
Block first atom: 4173
Blocpdb> 35 atoms in block 137
Block first atom: 4205
Blocpdb> 29 atoms in block 138
Block first atom: 4240
Blocpdb> 28 atoms in block 139
Block first atom: 4269
Blocpdb> 33 atoms in block 140
Block first atom: 4297
Blocpdb> 26 atoms in block 141
Block first atom: 4330
Blocpdb> 33 atoms in block 142
Block first atom: 4356
Blocpdb> 34 atoms in block 143
Block first atom: 4389
Blocpdb> 25 atoms in block 144
Block first atom: 4423
Blocpdb> 38 atoms in block 145
Block first atom: 4448
Blocpdb> 35 atoms in block 146
Block first atom: 4486
Blocpdb> 34 atoms in block 147
Block first atom: 4521
Blocpdb> 36 atoms in block 148
Block first atom: 4555
Blocpdb> 34 atoms in block 149
Block first atom: 4591
Blocpdb> 30 atoms in block 150
Block first atom: 4625
Blocpdb> 27 atoms in block 151
Block first atom: 4655
Blocpdb> 32 atoms in block 152
Block first atom: 4682
Blocpdb> 39 atoms in block 153
Block first atom: 4714
Blocpdb> 33 atoms in block 154
Block first atom: 4753
Blocpdb> 25 atoms in block 155
Block first atom: 4786
Blocpdb> 37 atoms in block 156
Block first atom: 4811
Blocpdb> 39 atoms in block 157
Block first atom: 4848
Blocpdb> 31 atoms in block 158
Block first atom: 4887
Blocpdb> 30 atoms in block 159
Block first atom: 4918
Blocpdb> 29 atoms in block 160
Block first atom: 4948
Blocpdb> 31 atoms in block 161
Block first atom: 4977
Blocpdb> 30 atoms in block 162
Block first atom: 5008
Blocpdb> 29 atoms in block 163
Block first atom: 5038
Blocpdb> 35 atoms in block 164
Block first atom: 5067
Blocpdb> 33 atoms in block 165
Block first atom: 5102
Blocpdb> 33 atoms in block 166
Block first atom: 5135
Blocpdb> 34 atoms in block 167
Block first atom: 5168
Blocpdb> 32 atoms in block 168
Block first atom: 5202
Blocpdb> 28 atoms in block 169
Block first atom: 5234
Blocpdb> 34 atoms in block 170
Block first atom: 5262
Blocpdb> 34 atoms in block 171
Block first atom: 5296
Blocpdb> 5 atoms in block 172
Block first atom: 5329
Blocpdb> 172 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> 1939600 matrix lines read.
Prepmat> Matrix order = 16002
Prepmat> Matrix trace = 4245460.0000
Prepmat> Last element read: 16002 16002 34.5058
Prepmat> 14879 lines saved.
Prepmat> 13395 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: 5334
RTB> Total mass = 5334.0000
RTB> Number of atoms found in matrix: 5334
RTB> Number of blocks = 172
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 196904.1009
RTB> 50808 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 = 1032
Diagstd> Nb of non-zero elements: 50808
Diagstd> Projected matrix trace = 196904.1009
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1032 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 196904.1009
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 0.2039601 0.3619066 0.4915046 0.7808416
1.1510601 1.6115537 1.6607529 2.0132348 2.6240011
2.7804578 3.2661326 3.5837137 4.1821811 4.7010793
4.8929881 5.3272896 5.4251155 5.5215507 6.3066941
6.6620577 7.0367399 7.2740650 7.5601578 7.8319274
8.3644948 9.3460791 9.4836511 10.0257545 10.5243777
11.5217380 11.9897863 12.6114351 13.2606140 13.9461963
14.6175142 15.0132467 15.3874030 15.9438855 16.4650744
17.4346539 17.6902204 17.7983573 18.3286297 18.4289436
18.9535518 19.0362489 20.1098818 20.8826932 21.3892193
22.1937343 22.3990378 22.6481112 22.7436005 23.5954543
24.0535559 24.7106577 24.7826843 26.2918390 26.8764786
27.1795271 27.4806808 27.6378035 28.1514464 28.3421821
28.8571298 29.4070823 29.5316728 29.7260146 30.1900383
31.0982571 31.4280298 32.1770802 32.2684295 33.0446863
33.3554845 34.0302487 34.1545947 35.2991792 35.6976553
36.2107989 36.7748699 37.1899572 37.6759742 38.1655440
38.9865857 39.5477790 39.6736531 40.2093964 40.5700251
41.2147332 41.3007464 42.0704930 42.5075681 42.6213645
43.2442461 43.4525823 44.4668237 44.6507310 45.6145034
45.7552811
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034330 0.0034334 0.0034337 0.0034337
0.0034339 49.0419724 65.3271228 76.1305661 95.9570178
116.5049233 137.8534580 139.9419082 154.0786609 175.9046373
181.0728889 196.2511381 205.5710414 222.0734791 235.4474928
240.2051761 250.6388764 252.9296692 255.1677656 272.7069240
280.2847550 288.0587227 292.8760563 298.5799981 303.8992359
314.0618162 331.9785375 334.4129324 343.8379534 352.2844650
368.5991055 376.0113905 385.6359690 395.4368133 405.5301682
415.1758106 420.7582028 425.9689514 433.6030858 440.6331116
453.4213289 456.7324854 458.1263178 464.9007845 466.1712664
472.7598470 473.7900848 486.9675695 496.2363045 502.2185462
511.5763643 513.9370908 516.7866361 517.8749321 527.4841959
532.5800868 539.8056584 540.5917990 556.8083793 562.9650878
566.1300767 569.2578451 570.8829108 576.1633601 578.1119179
583.3401203 588.8724664 590.1186011 592.0571414 596.6602589
605.5685402 608.7708635 615.9828154 616.8565699 624.2320990
627.1608022 633.4726099 634.6289048 645.1750787 648.8064014
653.4529661 658.5228559 662.2288848 666.5420086 670.8586267
678.0362009 682.8987682 683.9846823 688.5873770 691.6683742
697.1424476 697.8695197 704.3428023 707.9920970 708.9391412
714.1006781 715.8187589 724.1246552 725.6205386 733.4098794
734.5407499
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5334
Rtb_to_modes> Number of blocs = 172
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: 9.9888E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9987E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9994E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.2040
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.3619
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.4915
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.7808
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.151
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.612
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.661
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.013
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.624
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.780
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.266
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.584
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.182
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.701
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.893
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.327
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.425
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.522
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.307
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.662
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.037
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.274
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 7.560
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.832
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 8.364
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 9.346
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 9.484
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 10.03
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 10.52
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 11.52
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 11.99
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 12.61
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 13.26
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 13.95
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 14.62
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 15.01
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 15.39
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 15.94
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 16.47
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 17.43
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 17.69
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 17.80
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 18.33
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 18.43
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 18.95
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 19.04
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 20.11
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 20.88
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 21.39
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 22.19
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 22.40
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 22.65
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 22.74
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 23.60
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 24.71
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 24.78
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 26.29
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 26.88
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 27.18
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 27.48
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 27.64
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 28.15
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 28.34
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 28.86
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 29.41
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 29.53
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 29.73
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 30.19
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 31.10
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 31.43
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 32.18
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 32.27
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 33.04
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 33.36
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 34.03
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 34.15
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 35.30
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 35.70
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 36.21
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 36.77
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 37.19
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 37.68
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 38.17
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 38.99
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 39.55
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 39.67
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 40.21
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 40.57
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 41.21
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 41.30
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 42.07
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 42.51
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 42.62
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 43.24
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 43.45
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 44.47
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 44.65
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 45.61
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 45.76
Rtb_to_modes> 106 vectors, with 1032 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99999 1.00000 1.00002 1.00000
1.00000 1.00000 1.00000 1.00002 1.00001
1.00001 0.99998 1.00002 0.99999 1.00001
0.99999 0.99998 1.00000 0.99999 0.99996
1.00002 1.00002 1.00001 0.99997 0.99998
0.99998 0.99999 0.99997 1.00001 0.99997
1.00000 1.00002 0.99998 0.99999 1.00000
1.00001 1.00001 0.99998 1.00001 0.99998
0.99999 0.99998 1.00000 0.99998 0.99996
0.99997 0.99998 0.99999 1.00003 0.99998
1.00003 1.00001 0.99999 1.00002 1.00001
1.00000 0.99999 1.00003 1.00000 1.00000
1.00001 1.00001 0.99999 0.99998 0.99998
1.00001 0.99999 0.99999 1.00000 0.99999
0.99999 0.99998 1.00000 0.99999 1.00001
0.99998 1.00001 1.00001 1.00000 1.00002
1.00001 0.99999 1.00000 1.00001 0.99999
0.99999 1.00003 1.00000 1.00000 1.00001
0.99999 1.00000 1.00001 1.00001 0.99998
1.00000 0.99999 1.00006 1.00001 1.00001
1.00000 0.99996 1.00002 1.00000 0.99998
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 96012 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99999 1.00000 1.00002 1.00000
1.00000 1.00000 1.00000 1.00002 1.00001
1.00001 0.99998 1.00002 0.99999 1.00001
0.99999 0.99998 1.00000 0.99999 0.99996
1.00002 1.00002 1.00001 0.99997 0.99998
0.99998 0.99999 0.99997 1.00001 0.99997
1.00000 1.00002 0.99998 0.99999 1.00000
1.00001 1.00001 0.99998 1.00001 0.99998
0.99999 0.99998 1.00000 0.99998 0.99996
0.99997 0.99998 0.99999 1.00003 0.99998
1.00003 1.00001 0.99999 1.00002 1.00001
1.00000 0.99999 1.00003 1.00000 1.00000
1.00001 1.00001 0.99999 0.99998 0.99998
1.00001 0.99999 0.99999 1.00000 0.99999
0.99999 0.99998 1.00000 0.99999 1.00001
0.99998 1.00001 1.00001 1.00000 1.00002
1.00001 0.99999 1.00000 1.00001 0.99999
0.99999 1.00003 1.00000 1.00000 1.00001
0.99999 1.00000 1.00001 1.00001 0.99998
1.00000 0.99999 1.00006 1.00001 1.00001
1.00000 0.99996 1.00002 1.00000 0.99998
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> 2403040904371504613.eigenfacs
Openam> file on opening on unit 10:
2403040904371504613.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403040904371504613.atom
Openam> file on opening on unit 11:
2403040904371504613.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 = 685
First residue number = 1
Last residue number = 685
Number of atoms found = 5334
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9888E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9994E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2040
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3619
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4915
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7808
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.151
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.612
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.780
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.584
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.182
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.893
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.425
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.307
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.274
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 7.560
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 8.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 10.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 10.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 11.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 12.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 13.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 13.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 14.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 15.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 15.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 15.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 16.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 17.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 17.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 17.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 18.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 18.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 18.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 19.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 20.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 20.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 21.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 22.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 22.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 22.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 22.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 23.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 24.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 24.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 26.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 26.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 27.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 27.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 27.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 28.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 28.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 28.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 29.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 29.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 29.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 30.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 31.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 31.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 32.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 32.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 33.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 33.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 34.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 34.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 35.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 35.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 36.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 36.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 37.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 37.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 38.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 38.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 39.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 39.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 40.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 40.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 41.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 41.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 42.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 42.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 42.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 43.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 43.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 44.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 44.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 45.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 45.76
Bfactors> 106 vectors, 16002 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 : 0.204000
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= 0.122 for 685 C-alpha atoms.
Bfactors> = 0.058 +/- 0.06
Bfactors> = 79.740 +/- 12.72
Bfactors> Shiftng-fct= 79.682
Bfactors> Scaling-fct= 207.160
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403040904371504613 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=0
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=100
2403040904371504613.eigenfacs
2403040904371504613.atom
making animated gifs
11 models are in 2403040904371504613.7.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 2403040904371504613.7.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 2403040904371504613.7.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 2403040904371504613 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=0
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=100
2403040904371504613.eigenfacs
2403040904371504613.atom
making animated gifs
11 models are in 2403040904371504613.8.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 2403040904371504613.8.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 2403040904371504613.8.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 2403040904371504613 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=0
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=100
2403040904371504613.eigenfacs
2403040904371504613.atom
making animated gifs
11 models are in 2403040904371504613.9.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 2403040904371504613.9.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 2403040904371504613.9.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 2403040904371504613 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=0
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=100
2403040904371504613.eigenfacs
2403040904371504613.atom
making animated gifs
11 models are in 2403040904371504613.10.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 2403040904371504613.10.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 2403040904371504613.10.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 2403040904371504613 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=-20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=0
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=20
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=40
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=60
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=80
2403040904371504613.eigenfacs
2403040904371504613.atom
calculating perturbed structure for DQ=100
2403040904371504613.eigenfacs
2403040904371504613.atom
making animated gifs
11 models are in 2403040904371504613.11.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 2403040904371504613.11.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 2403040904371504613.11.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
2403040904371504613.10.pdb
2403040904371504613.11.pdb
2403040904371504613.7.pdb
2403040904371504613.8.pdb
2403040904371504613.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m24.530s
user 0m24.417s
sys 0m0.112s
../../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: 2403040904371504613.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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