*** NMA_rosettafold_L40 ***
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 = 2403040913031511908.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 2403040913031511908.atom to be opened.
Openam> File opened: 2403040913031511908.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 = 10579
Mean number per residue = 15.4
Pdbmat> Coordinate statistics:
= -3.441594 +/- 15.504670 From: -41.741000 To: 30.032000
= 61.673478 +/- 28.000832 From: -2.115000 To: 111.273000
= -0.409229 +/- 14.205819 From: -39.274000 To: 33.667000
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 1.4971 % Filled.
Pdbmat> 7540087 non-zero elements.
Pdbmat> 830862 atom-atom interactions.
Pdbmat> Number per atom= 157.08 +/- 50.60
Maximum number = 260
Minimum number = 17
Pdbmat> Matrix trace = 1.661724E+07
Pdbmat> Larger element = 935.820
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 = 2403040913031511908.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 2403040913031511908.atom to be opened.
Openam> file on opening on unit 11:
2403040913031511908.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10579 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> 62 atoms in block 1
Block first atom: 1
Blocpdb> 67 atoms in block 2
Block first atom: 63
Blocpdb> 69 atoms in block 3
Block first atom: 130
Blocpdb> 63 atoms in block 4
Block first atom: 199
Blocpdb> 60 atoms in block 5
Block first atom: 262
Blocpdb> 60 atoms in block 6
Block first atom: 322
Blocpdb> 68 atoms in block 7
Block first atom: 382
Blocpdb> 54 atoms in block 8
Block first atom: 450
Blocpdb> 73 atoms in block 9
Block first atom: 504
Blocpdb> 50 atoms in block 10
Block first atom: 577
Blocpdb> 55 atoms in block 11
Block first atom: 627
Blocpdb> 77 atoms in block 12
Block first atom: 682
Blocpdb> 70 atoms in block 13
Block first atom: 759
Blocpdb> 61 atoms in block 14
Block first atom: 829
Blocpdb> 65 atoms in block 15
Block first atom: 890
Blocpdb> 46 atoms in block 16
Block first atom: 955
Blocpdb> 75 atoms in block 17
Block first atom: 1001
Blocpdb> 51 atoms in block 18
Block first atom: 1076
Blocpdb> 61 atoms in block 19
Block first atom: 1127
Blocpdb> 72 atoms in block 20
Block first atom: 1188
Blocpdb> 67 atoms in block 21
Block first atom: 1260
Blocpdb> 71 atoms in block 22
Block first atom: 1327
Blocpdb> 55 atoms in block 23
Block first atom: 1398
Blocpdb> 70 atoms in block 24
Block first atom: 1453
Blocpdb> 51 atoms in block 25
Block first atom: 1523
Blocpdb> 72 atoms in block 26
Block first atom: 1574
Blocpdb> 59 atoms in block 27
Block first atom: 1646
Blocpdb> 51 atoms in block 28
Block first atom: 1705
Blocpdb> 65 atoms in block 29
Block first atom: 1756
Blocpdb> 53 atoms in block 30
Block first atom: 1821
Blocpdb> 77 atoms in block 31
Block first atom: 1874
Blocpdb> 66 atoms in block 32
Block first atom: 1951
Blocpdb> 63 atoms in block 33
Block first atom: 2017
Blocpdb> 56 atoms in block 34
Block first atom: 2080
Blocpdb> 64 atoms in block 35
Block first atom: 2136
Blocpdb> 77 atoms in block 36
Block first atom: 2200
Blocpdb> 65 atoms in block 37
Block first atom: 2277
Blocpdb> 64 atoms in block 38
Block first atom: 2342
Blocpdb> 67 atoms in block 39
Block first atom: 2406
Blocpdb> 55 atoms in block 40
Block first atom: 2473
Blocpdb> 72 atoms in block 41
Block first atom: 2528
Blocpdb> 61 atoms in block 42
Block first atom: 2600
Blocpdb> 48 atoms in block 43
Block first atom: 2661
Blocpdb> 68 atoms in block 44
Block first atom: 2709
Blocpdb> 66 atoms in block 45
Block first atom: 2777
Blocpdb> 65 atoms in block 46
Block first atom: 2843
Blocpdb> 57 atoms in block 47
Block first atom: 2908
Blocpdb> 62 atoms in block 48
Block first atom: 2965
Blocpdb> 70 atoms in block 49
Block first atom: 3027
Blocpdb> 51 atoms in block 50
Block first atom: 3097
Blocpdb> 66 atoms in block 51
Block first atom: 3148
Blocpdb> 72 atoms in block 52
Block first atom: 3214
Blocpdb> 46 atoms in block 53
Block first atom: 3286
Blocpdb> 75 atoms in block 54
Block first atom: 3332
Blocpdb> 72 atoms in block 55
Block first atom: 3407
Blocpdb> 63 atoms in block 56
Block first atom: 3479
Blocpdb> 79 atoms in block 57
Block first atom: 3542
Blocpdb> 69 atoms in block 58
Block first atom: 3621
Blocpdb> 63 atoms in block 59
Block first atom: 3690
Blocpdb> 55 atoms in block 60
Block first atom: 3753
Blocpdb> 68 atoms in block 61
Block first atom: 3808
Blocpdb> 74 atoms in block 62
Block first atom: 3876
Blocpdb> 64 atoms in block 63
Block first atom: 3950
Blocpdb> 49 atoms in block 64
Block first atom: 4014
Blocpdb> 76 atoms in block 65
Block first atom: 4063
Blocpdb> 84 atoms in block 66
Block first atom: 4139
Blocpdb> 64 atoms in block 67
Block first atom: 4223
Blocpdb> 64 atoms in block 68
Block first atom: 4287
Blocpdb> 51 atoms in block 69
Block first atom: 4351
Blocpdb> 64 atoms in block 70
Block first atom: 4402
Blocpdb> 59 atoms in block 71
Block first atom: 4466
Blocpdb> 60 atoms in block 72
Block first atom: 4525
Blocpdb> 67 atoms in block 73
Block first atom: 4585
Blocpdb> 67 atoms in block 74
Block first atom: 4652
Blocpdb> 59 atoms in block 75
Block first atom: 4719
Blocpdb> 66 atoms in block 76
Block first atom: 4778
Blocpdb> 61 atoms in block 77
Block first atom: 4844
Blocpdb> 51 atoms in block 78
Block first atom: 4905
Blocpdb> 71 atoms in block 79
Block first atom: 4956
Blocpdb> 75 atoms in block 80
Block first atom: 5027
Blocpdb> 38 atoms in block 81
Block first atom: 5102
Blocpdb> 32 atoms in block 82
Block first atom: 5140
Blocpdb> 32 atoms in block 83
Block first atom: 5172
Blocpdb> 32 atoms in block 84
Block first atom: 5204
Blocpdb> 32 atoms in block 85
Block first atom: 5236
Blocpdb> 32 atoms in block 86
Block first atom: 5268
Blocpdb> 32 atoms in block 87
Block first atom: 5300
Blocpdb> 32 atoms in block 88
Block first atom: 5332
Blocpdb> 32 atoms in block 89
Block first atom: 5364
Blocpdb> 32 atoms in block 90
Block first atom: 5396
Blocpdb> 44 atoms in block 91
Block first atom: 5428
Blocpdb> 60 atoms in block 92
Block first atom: 5472
Blocpdb> 67 atoms in block 93
Block first atom: 5532
Blocpdb> 69 atoms in block 94
Block first atom: 5599
Blocpdb> 63 atoms in block 95
Block first atom: 5668
Blocpdb> 60 atoms in block 96
Block first atom: 5731
Blocpdb> 60 atoms in block 97
Block first atom: 5791
Blocpdb> 68 atoms in block 98
Block first atom: 5851
Blocpdb> 54 atoms in block 99
Block first atom: 5919
Blocpdb> 73 atoms in block 100
Block first atom: 5973
Blocpdb> 50 atoms in block 101
Block first atom: 6046
Blocpdb> 55 atoms in block 102
Block first atom: 6096
Blocpdb> 77 atoms in block 103
Block first atom: 6151
Blocpdb> 70 atoms in block 104
Block first atom: 6228
Blocpdb> 61 atoms in block 105
Block first atom: 6298
Blocpdb> 65 atoms in block 106
Block first atom: 6359
Blocpdb> 46 atoms in block 107
Block first atom: 6424
Blocpdb> 75 atoms in block 108
Block first atom: 6470
Blocpdb> 51 atoms in block 109
Block first atom: 6545
Blocpdb> 61 atoms in block 110
Block first atom: 6596
Blocpdb> 72 atoms in block 111
Block first atom: 6657
Blocpdb> 67 atoms in block 112
Block first atom: 6729
Blocpdb> 70 atoms in block 113
Block first atom: 6796
Blocpdb> 55 atoms in block 114
Block first atom: 6866
Blocpdb> 70 atoms in block 115
Block first atom: 6921
Blocpdb> 51 atoms in block 116
Block first atom: 6991
Blocpdb> 72 atoms in block 117
Block first atom: 7042
Blocpdb> 59 atoms in block 118
Block first atom: 7114
Blocpdb> 51 atoms in block 119
Block first atom: 7173
Blocpdb> 65 atoms in block 120
Block first atom: 7224
Blocpdb> 52 atoms in block 121
Block first atom: 7289
Blocpdb> 77 atoms in block 122
Block first atom: 7341
Blocpdb> 66 atoms in block 123
Block first atom: 7418
Blocpdb> 63 atoms in block 124
Block first atom: 7484
Blocpdb> 56 atoms in block 125
Block first atom: 7547
Blocpdb> 64 atoms in block 126
Block first atom: 7603
Blocpdb> 77 atoms in block 127
Block first atom: 7667
Blocpdb> 65 atoms in block 128
Block first atom: 7744
Blocpdb> 64 atoms in block 129
Block first atom: 7809
Blocpdb> 67 atoms in block 130
Block first atom: 7873
Blocpdb> 55 atoms in block 131
Block first atom: 7940
Blocpdb> 72 atoms in block 132
Block first atom: 7995
Blocpdb> 61 atoms in block 133
Block first atom: 8067
Blocpdb> 48 atoms in block 134
Block first atom: 8128
Blocpdb> 68 atoms in block 135
Block first atom: 8176
Blocpdb> 66 atoms in block 136
Block first atom: 8244
Blocpdb> 65 atoms in block 137
Block first atom: 8310
Blocpdb> 57 atoms in block 138
Block first atom: 8375
Blocpdb> 62 atoms in block 139
Block first atom: 8432
Blocpdb> 70 atoms in block 140
Block first atom: 8494
Blocpdb> 51 atoms in block 141
Block first atom: 8564
Blocpdb> 66 atoms in block 142
Block first atom: 8615
Blocpdb> 72 atoms in block 143
Block first atom: 8681
Blocpdb> 46 atoms in block 144
Block first atom: 8753
Blocpdb> 75 atoms in block 145
Block first atom: 8799
Blocpdb> 72 atoms in block 146
Block first atom: 8874
Blocpdb> 63 atoms in block 147
Block first atom: 8946
Blocpdb> 79 atoms in block 148
Block first atom: 9009
Blocpdb> 69 atoms in block 149
Block first atom: 9088
Blocpdb> 63 atoms in block 150
Block first atom: 9157
Blocpdb> 55 atoms in block 151
Block first atom: 9220
Blocpdb> 68 atoms in block 152
Block first atom: 9275
Blocpdb> 74 atoms in block 153
Block first atom: 9343
Blocpdb> 64 atoms in block 154
Block first atom: 9417
Blocpdb> 49 atoms in block 155
Block first atom: 9481
Blocpdb> 76 atoms in block 156
Block first atom: 9530
Blocpdb> 84 atoms in block 157
Block first atom: 9606
Blocpdb> 64 atoms in block 158
Block first atom: 9690
Blocpdb> 64 atoms in block 159
Block first atom: 9754
Blocpdb> 51 atoms in block 160
Block first atom: 9818
Blocpdb> 64 atoms in block 161
Block first atom: 9869
Blocpdb> 59 atoms in block 162
Block first atom: 9933
Blocpdb> 60 atoms in block 163
Block first atom: 9992
Blocpdb> 67 atoms in block 164
Block first atom: 10052
Blocpdb> 67 atoms in block 165
Block first atom: 10119
Blocpdb> 59 atoms in block 166
Block first atom: 10186
Blocpdb> 66 atoms in block 167
Block first atom: 10245
Blocpdb> 61 atoms in block 168
Block first atom: 10311
Blocpdb> 51 atoms in block 169
Block first atom: 10372
Blocpdb> 71 atoms in block 170
Block first atom: 10423
Blocpdb> 75 atoms in block 171
Block first atom: 10494
Blocpdb> 11 atoms in block 172
Block first atom: 10568
Blocpdb> 172 blocks.
Blocpdb> At most, 84 atoms in each of them.
Blocpdb> At least, 11 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> 7540259 matrix lines read.
Prepmat> Matrix order = 31737
Prepmat> Matrix trace = 16617240.0000
Prepmat> Last element read: 31737 31737 189.3548
Prepmat> 14879 lines saved.
Prepmat> 13335 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: 10579
RTB> Total mass = 10579.0000
RTB> Number of atoms found in matrix: 10579
RTB> Number of blocks = 172
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 387342.3373
RTB> 52968 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: 52968
Diagstd> Projected matrix trace = 387342.3373
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 = 387342.3373
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 0.0109273 0.0273815 0.0500064 0.1330591
0.2883031 0.5581023 1.1568723 2.0459228 2.3168832
2.6131664 3.0329880 4.0109778 4.8796397 5.1753889
5.4674067 5.9828236 6.9234999 7.9915741 8.8234444
10.1857547 10.6202066 11.9162817 12.8993376 13.6976589
15.1227029 16.2780667 17.3655481 17.7710128 19.1528697
19.4893195 20.5696106 21.9106322 23.4120374 23.9079228
24.1575663 24.6069244 25.4577709 26.1321483 28.8541730
28.9505434 29.7395026 31.1990611 31.7989040 33.6549922
34.1650425 35.1650906 36.0507695 36.9442402 37.5157077
39.4927054 39.7671417 42.7311321 44.4322790 45.5585376
46.5289881 47.2456546 47.8989706 48.4557586 48.8091311
49.7152849 50.7725677 51.9809990 52.7037848 53.2219160
54.1585610 55.4105565 56.5591262 57.8451466 58.4600343
59.6565962 60.9419522 61.3189843 62.1662143 63.2969310
63.6463398 64.0402087 64.3615011 66.0688073 66.2360373
66.2590822 68.1664708 69.3987909 71.9186151 72.0949084
72.8716572 73.4643579 74.1685295 75.1834840 77.1878488
77.8188304 78.8557848 79.2640214 79.4144897 80.2599421
81.6612716 82.9261239 84.5244032 85.5789612 87.3193666
88.0453767
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034288 0.0034317 0.0034322 0.0034324 0.0034329
0.0034363 11.3514427 17.9689941 24.2833257 39.6111549
58.3068963 81.1245322 116.7986935 155.3244781 165.2902933
175.5410984 189.1170256 217.4805431 239.8773028 247.0397143
253.9136039 265.6124196 285.7315036 306.9809640 322.5628562
346.5707348 353.8846808 374.8570315 390.0129110 401.9004141
422.2892157 438.1236447 452.5218228 457.7742607 475.2391470
479.3951305 492.5023595 508.3030717 525.4300229 530.9653766
533.7303144 538.6714371 547.9052567 555.1148395 583.3102339
584.2835246 592.1914467 606.5492117 612.3523037 629.9702308
634.7259623 643.9485217 652.0074374 660.0375599 665.1228255
682.4231063 684.7900930 709.8514596 723.8433266 732.9598201
740.7251391 746.4078800 751.5508503 755.9063240 758.6576097
765.6675590 773.7663592 782.9203675 788.3447546 792.2103876
799.1509839 808.3352838 816.6700447 825.9024288 830.2804519
838.7345154 847.7220140 850.3402894 856.1946128 863.9460177
866.3272933 869.0037477 871.1809350 882.6601379 883.7765040
883.9302326 896.5627379 904.6305129 920.9073481 922.0353621
926.9890485 930.7512407 935.2013276 941.5784358 954.0469536
957.9385038 964.2997617 966.7926304 967.7098355 972.8473522
981.3035037 988.8740117 998.3580792 1004.5667178 1014.7301595
1018.9398748
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10579
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: 9.9702E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9870E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9900E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9907E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9940E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.0927E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.7381E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.0006E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1331
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.2883
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.5581
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.157
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.046
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.317
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.613
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.033
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 4.011
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.880
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 5.175
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.467
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.983
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.923
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.992
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 8.823
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 10.19
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 10.62
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 11.92
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 12.90
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 13.70
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 15.12
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 16.28
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 17.37
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 17.77
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 19.15
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 19.49
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 20.57
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 21.91
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.41
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 23.91
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.16
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 24.61
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.46
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 26.13
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 28.85
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 28.95
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 29.74
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 31.20
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 31.80
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 33.65
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 34.17
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 35.17
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 36.05
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 36.94
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 37.52
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 39.49
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 39.77
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 42.73
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 44.43
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 45.56
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 46.53
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 47.25
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 47.90
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 48.46
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 48.81
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 49.72
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 50.77
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 51.98
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 52.70
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 53.22
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 54.16
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 55.41
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 56.56
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 57.85
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 58.46
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 59.66
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 60.94
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 61.32
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 62.17
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 63.30
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 63.65
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 64.04
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 64.36
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 66.07
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 66.24
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 66.26
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 68.17
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 69.40
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 71.92
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 72.09
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 72.87
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 73.46
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 74.17
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 75.18
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 77.19
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 77.82
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 78.86
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 79.26
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 79.41
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 80.26
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 81.66
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 82.93
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 84.52
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 85.58
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 87.32
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 88.05
Rtb_to_modes> 106 vectors, with 1032 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00003 1.00000 1.00000 0.99998
1.00000 1.00002 0.99999 0.99996 1.00000
0.99998 1.00000 1.00000 1.00001 0.99999
0.99999 1.00000 0.99998 1.00000 0.99999
1.00001 0.99998 1.00004 1.00001 1.00001
1.00001 1.00002 1.00002 1.00000 0.99999
0.99998 1.00000 1.00001 1.00003 0.99998
1.00004 0.99999 0.99998 0.99999 1.00000
1.00002 1.00001 0.99998 0.99998 0.99996
0.99998 1.00000 1.00001 1.00001 0.99997
1.00000 1.00001 0.99999 1.00001 1.00001
1.00005 1.00000 1.00001 0.99998 0.99999
0.99999 0.99999 1.00001 1.00000 1.00000
0.99999 0.99998 1.00003 1.00000 1.00000
1.00001 1.00002 1.00000 0.99999 1.00001
1.00000 1.00001 1.00000 1.00000 0.99997
1.00001 1.00001 1.00001 1.00001 0.99999
0.99998 1.00001 1.00000 1.00002 1.00000
0.99999 0.99998 1.00002 0.99997 0.99998
1.00001 0.99999 0.99996 1.00001 1.00000
0.99998 0.99997 1.00002 0.99999 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 190422 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00003 1.00000 1.00000 0.99998
1.00000 1.00002 0.99999 0.99996 1.00000
0.99998 1.00000 1.00000 1.00001 0.99999
0.99999 1.00000 0.99998 1.00000 0.99999
1.00001 0.99998 1.00004 1.00001 1.00001
1.00001 1.00002 1.00002 1.00000 0.99999
0.99998 1.00000 1.00001 1.00003 0.99998
1.00004 0.99999 0.99998 0.99999 1.00000
1.00002 1.00001 0.99998 0.99998 0.99996
0.99998 1.00000 1.00001 1.00001 0.99997
1.00000 1.00001 0.99999 1.00001 1.00001
1.00005 1.00000 1.00001 0.99998 0.99999
0.99999 0.99999 1.00001 1.00000 1.00000
0.99999 0.99998 1.00003 1.00000 1.00000
1.00001 1.00002 1.00000 0.99999 1.00001
1.00000 1.00001 1.00000 1.00000 0.99997
1.00001 1.00001 1.00001 1.00001 0.99999
0.99998 1.00001 1.00000 1.00002 1.00000
0.99999 0.99998 1.00002 0.99997 0.99998
1.00001 0.99999 0.99996 1.00001 1.00000
0.99998 0.99997 1.00002 0.99999 1.00000
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> 2403040913031511908.eigenfacs
Openam> file on opening on unit 10:
2403040913031511908.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403040913031511908.atom
Openam> file on opening on unit 11:
2403040913031511908.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 = 10579
Mean number per residue = 15.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9702E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9870E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9900E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9907E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9940E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0927E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.7381E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.0006E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2883
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.033
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 4.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 5.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 8.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 10.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 11.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 12.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 13.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 15.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 16.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 17.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 17.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 19.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 19.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 20.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 21.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 23.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 24.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 26.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 28.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 28.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 29.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 31.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 31.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 33.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 34.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 35.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 36.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 36.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 37.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 39.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 39.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 42.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 44.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 45.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 46.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 47.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 47.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 48.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 48.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 49.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 50.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 51.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 52.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 53.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 54.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 55.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 56.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 57.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 58.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 59.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 60.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 61.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 62.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 63.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 63.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 64.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 64.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 66.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 66.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 66.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 68.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 69.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 71.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 72.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 72.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 73.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 74.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 75.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 77.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 77.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 78.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 79.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 79.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 80.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 81.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 82.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 84.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 85.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 87.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 88.05
Bfactors> 106 vectors, 31737 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 : 0.010927
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= 0.000 for 685 C-alpha atoms.
Bfactors> = 0.238 +/- 0.16
Bfactors> = 2.677 +/- 3.08
Bfactors> Shiftng-fct= 2.439
Bfactors> Scaling-fct= 19.608
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403040913031511908 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=0
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=100
2403040913031511908.eigenfacs
2403040913031511908.atom
making animated gifs
11 models are in 2403040913031511908.7.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 2403040913031511908.7.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 2403040913031511908.7.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 2403040913031511908 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=0
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=100
2403040913031511908.eigenfacs
2403040913031511908.atom
making animated gifs
11 models are in 2403040913031511908.8.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 2403040913031511908.8.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 2403040913031511908.8.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 2403040913031511908 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=0
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=100
2403040913031511908.eigenfacs
2403040913031511908.atom
making animated gifs
11 models are in 2403040913031511908.9.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 2403040913031511908.9.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 2403040913031511908.9.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 2403040913031511908 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=0
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=100
2403040913031511908.eigenfacs
2403040913031511908.atom
making animated gifs
11 models are in 2403040913031511908.10.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 2403040913031511908.10.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 2403040913031511908.10.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 2403040913031511908 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=-20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=0
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=20
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=40
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=60
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=80
2403040913031511908.eigenfacs
2403040913031511908.atom
calculating perturbed structure for DQ=100
2403040913031511908.eigenfacs
2403040913031511908.atom
making animated gifs
11 models are in 2403040913031511908.11.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 2403040913031511908.11.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 2403040913031511908.11.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
2403040913031511908.10.pdb
2403040913031511908.11.pdb
2403040913031511908.7.pdb
2403040913031511908.8.pdb
2403040913031511908.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m53.679s
user 0m53.426s
sys 0m0.232s
../../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: 2403040913031511908.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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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