*** ***
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 = 240507033556759822.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 240507033556759822.atom to be opened.
Openam> File opened: 240507033556759822.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 = 905
First residue number = 1
Last residue number = 307
Number of atoms found = 6949
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 27.176118 +/- 23.529008 From: -16.894000 To: 80.539000
= 57.222146 +/- 19.145512 From: 12.090000 To: 102.703000
= 15.306028 +/- 18.675767 From: -28.768000 To: 58.539000
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 1.2157 % Filled.
Pdbmat> 2641756 non-zero elements.
Pdbmat> 288943 atom-atom interactions.
Pdbmat> Number per atom= 83.16 +/- 22.98
Maximum number = 133
Minimum number = 11
Pdbmat> Matrix trace = 5.778860E+06
Pdbmat> Larger element = 505.072
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
905 non-zero elements, NRBL set to 5
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 = 240507033556759822.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 5
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 240507033556759822.atom to be opened.
Openam> file on opening on unit 11:
240507033556759822.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6949 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 5 residue(s) per block.
Blocpdb> 905 residues.
Blocpdb> 39 atoms in block 1
Block first atom: 1
Blocpdb> 34 atoms in block 2
Block first atom: 40
Blocpdb> 36 atoms in block 3
Block first atom: 74
Blocpdb> 34 atoms in block 4
Block first atom: 110
Blocpdb> 41 atoms in block 5
Block first atom: 144
Blocpdb> 36 atoms in block 6
Block first atom: 185
Blocpdb> 40 atoms in block 7
Block first atom: 221
Blocpdb> 44 atoms in block 8
Block first atom: 261
Blocpdb> 38 atoms in block 9
Block first atom: 305
Blocpdb> 38 atoms in block 10
Block first atom: 343
Blocpdb> 41 atoms in block 11
Block first atom: 381
Blocpdb> 37 atoms in block 12
Block first atom: 422
Blocpdb> 46 atoms in block 13
Block first atom: 459
Blocpdb> 35 atoms in block 14
Block first atom: 505
Blocpdb> 37 atoms in block 15
Block first atom: 540
Blocpdb> 43 atoms in block 16
Block first atom: 577
Blocpdb> 33 atoms in block 17
Block first atom: 620
Blocpdb> 37 atoms in block 18
Block first atom: 653
Blocpdb> 34 atoms in block 19
Block first atom: 690
Blocpdb> 44 atoms in block 20
Block first atom: 724
Blocpdb> 40 atoms in block 21
Block first atom: 768
Blocpdb> 35 atoms in block 22
Block first atom: 808
Blocpdb> 32 atoms in block 23
Block first atom: 843
Blocpdb> 34 atoms in block 24
Block first atom: 875
Blocpdb> 39 atoms in block 25
Block first atom: 909
Blocpdb> 39 atoms in block 26
Block first atom: 948
Blocpdb> 38 atoms in block 27
Block first atom: 987
Blocpdb> 35 atoms in block 28
Block first atom: 1025
Blocpdb> 25 atoms in block 29
Block first atom: 1060
Blocpdb> 38 atoms in block 30
Block first atom: 1085
Blocpdb> 36 atoms in block 31
Block first atom: 1123
Blocpdb> 50 atoms in block 32
Block first atom: 1159
Blocpdb> 45 atoms in block 33
Block first atom: 1209
Blocpdb> 38 atoms in block 34
Block first atom: 1254
Blocpdb> 34 atoms in block 35
Block first atom: 1292
Blocpdb> 44 atoms in block 36
Block first atom: 1326
Blocpdb> 35 atoms in block 37
Block first atom: 1370
Blocpdb> 39 atoms in block 38
Block first atom: 1405
Blocpdb> 40 atoms in block 39
Block first atom: 1444
Blocpdb> 38 atoms in block 40
Block first atom: 1484
Blocpdb> 42 atoms in block 41
Block first atom: 1522
Blocpdb> 38 atoms in block 42
Block first atom: 1564
Blocpdb> 21 atoms in block 43
Block first atom: 1602
Blocpdb> 45 atoms in block 44
Block first atom: 1623
Blocpdb> 37 atoms in block 45
Block first atom: 1668
Blocpdb> 38 atoms in block 46
Block first atom: 1705
Blocpdb> 50 atoms in block 47
Block first atom: 1743
Blocpdb> 37 atoms in block 48
Block first atom: 1793
Blocpdb> 38 atoms in block 49
Block first atom: 1830
Blocpdb> 33 atoms in block 50
Block first atom: 1868
Blocpdb> 36 atoms in block 51
Block first atom: 1901
Blocpdb> 33 atoms in block 52
Block first atom: 1937
Blocpdb> 42 atoms in block 53
Block first atom: 1970
Blocpdb> 39 atoms in block 54
Block first atom: 2012
Blocpdb> 38 atoms in block 55
Block first atom: 2051
Blocpdb> 37 atoms in block 56
Block first atom: 2089
Blocpdb> 44 atoms in block 57
Block first atom: 2126
Blocpdb> 41 atoms in block 58
Block first atom: 2170
Blocpdb> 40 atoms in block 59
Block first atom: 2211
Blocpdb> 24 atoms in block 60
Block first atom: 2251
Blocpdb> 36 atoms in block 61
Block first atom: 2275
Blocpdb> 37 atoms in block 62
Block first atom: 2311
Blocpdb> 33 atoms in block 63
Block first atom: 2348
Blocpdb> 36 atoms in block 64
Block first atom: 2381
Blocpdb> 40 atoms in block 65
Block first atom: 2417
Blocpdb> 36 atoms in block 66
Block first atom: 2457
Blocpdb> 42 atoms in block 67
Block first atom: 2493
Blocpdb> 39 atoms in block 68
Block first atom: 2535
Blocpdb> 40 atoms in block 69
Block first atom: 2574
Blocpdb> 38 atoms in block 70
Block first atom: 2614
Blocpdb> 42 atoms in block 71
Block first atom: 2652
Blocpdb> 37 atoms in block 72
Block first atom: 2694
Blocpdb> 47 atoms in block 73
Block first atom: 2731
Blocpdb> 38 atoms in block 74
Block first atom: 2778
Blocpdb> 34 atoms in block 75
Block first atom: 2816
Blocpdb> 42 atoms in block 76
Block first atom: 2850
Blocpdb> 33 atoms in block 77
Block first atom: 2892
Blocpdb> 40 atoms in block 78
Block first atom: 2925
Blocpdb> 30 atoms in block 79
Block first atom: 2965
Blocpdb> 44 atoms in block 80
Block first atom: 2995
Blocpdb> 41 atoms in block 81
Block first atom: 3039
Blocpdb> 32 atoms in block 82
Block first atom: 3080
Blocpdb> 37 atoms in block 83
Block first atom: 3112
Blocpdb> 33 atoms in block 84
Block first atom: 3149
Blocpdb> 39 atoms in block 85
Block first atom: 3182
Blocpdb> 40 atoms in block 86
Block first atom: 3221
Blocpdb> 33 atoms in block 87
Block first atom: 3261
Blocpdb> 41 atoms in block 88
Block first atom: 3294
Blocpdb> 24 atoms in block 89
Block first atom: 3335
Blocpdb> 36 atoms in block 90
Block first atom: 3359
Blocpdb> 37 atoms in block 91
Block first atom: 3395
Blocpdb> 49 atoms in block 92
Block first atom: 3432
Blocpdb> 45 atoms in block 93
Block first atom: 3481
Blocpdb> 36 atoms in block 94
Block first atom: 3526
Blocpdb> 36 atoms in block 95
Block first atom: 3562
Blocpdb> 40 atoms in block 96
Block first atom: 3598
Blocpdb> 39 atoms in block 97
Block first atom: 3638
Blocpdb> 38 atoms in block 98
Block first atom: 3677
Blocpdb> 41 atoms in block 99
Block first atom: 3715
Blocpdb> 38 atoms in block 100
Block first atom: 3756
Blocpdb> 36 atoms in block 101
Block first atom: 3794
Blocpdb> 44 atoms in block 102
Block first atom: 3830
Blocpdb> 38 atoms in block 103
Block first atom: 3874
Blocpdb> 38 atoms in block 104
Block first atom: 3912
Blocpdb> 47 atoms in block 105
Block first atom: 3950
Blocpdb> 36 atoms in block 106
Block first atom: 3997
Blocpdb> 43 atoms in block 107
Block first atom: 4033
Blocpdb> 44 atoms in block 108
Block first atom: 4076
Blocpdb> 38 atoms in block 109
Block first atom: 4120
Blocpdb> 37 atoms in block 110
Block first atom: 4158
Blocpdb> 36 atoms in block 111
Block first atom: 4195
Blocpdb> 34 atoms in block 112
Block first atom: 4231
Blocpdb> 32 atoms in block 113
Block first atom: 4265
Blocpdb> 43 atoms in block 114
Block first atom: 4297
Blocpdb> 38 atoms in block 115
Block first atom: 4340
Blocpdb> 38 atoms in block 116
Block first atom: 4378
Blocpdb> 35 atoms in block 117
Block first atom: 4416
Blocpdb> 49 atoms in block 118
Block first atom: 4451
Blocpdb> 39 atoms in block 119
Block first atom: 4500
Blocpdb> 41 atoms in block 120
Block first atom: 4539
Blocpdb> 31 atoms in block 121
Block first atom: 4580
Blocpdb> 19 atoms in block 122
Block first atom: 4611
Blocpdb> 34 atoms in block 123
Block first atom: 4630
Blocpdb> 36 atoms in block 124
Block first atom: 4664
Blocpdb> 34 atoms in block 125
Block first atom: 4700
Blocpdb> 41 atoms in block 126
Block first atom: 4734
Blocpdb> 36 atoms in block 127
Block first atom: 4775
Blocpdb> 40 atoms in block 128
Block first atom: 4811
Blocpdb> 44 atoms in block 129
Block first atom: 4851
Blocpdb> 38 atoms in block 130
Block first atom: 4895
Blocpdb> 38 atoms in block 131
Block first atom: 4933
Blocpdb> 41 atoms in block 132
Block first atom: 4971
Blocpdb> 37 atoms in block 133
Block first atom: 5012
Blocpdb> 46 atoms in block 134
Block first atom: 5049
Blocpdb> 35 atoms in block 135
Block first atom: 5095
Blocpdb> 37 atoms in block 136
Block first atom: 5130
Blocpdb> 43 atoms in block 137
Block first atom: 5167
Blocpdb> 33 atoms in block 138
Block first atom: 5210
Blocpdb> 37 atoms in block 139
Block first atom: 5243
Blocpdb> 34 atoms in block 140
Block first atom: 5280
Blocpdb> 44 atoms in block 141
Block first atom: 5314
Blocpdb> 40 atoms in block 142
Block first atom: 5358
Blocpdb> 35 atoms in block 143
Block first atom: 5398
Blocpdb> 32 atoms in block 144
Block first atom: 5433
Blocpdb> 34 atoms in block 145
Block first atom: 5465
Blocpdb> 39 atoms in block 146
Block first atom: 5499
Blocpdb> 39 atoms in block 147
Block first atom: 5538
Blocpdb> 38 atoms in block 148
Block first atom: 5577
Blocpdb> 35 atoms in block 149
Block first atom: 5615
Blocpdb> 25 atoms in block 150
Block first atom: 5650
Blocpdb> 38 atoms in block 151
Block first atom: 5675
Blocpdb> 36 atoms in block 152
Block first atom: 5713
Blocpdb> 50 atoms in block 153
Block first atom: 5749
Blocpdb> 45 atoms in block 154
Block first atom: 5799
Blocpdb> 38 atoms in block 155
Block first atom: 5844
Blocpdb> 34 atoms in block 156
Block first atom: 5882
Blocpdb> 44 atoms in block 157
Block first atom: 5916
Blocpdb> 35 atoms in block 158
Block first atom: 5960
Blocpdb> 39 atoms in block 159
Block first atom: 5995
Blocpdb> 40 atoms in block 160
Block first atom: 6034
Blocpdb> 38 atoms in block 161
Block first atom: 6074
Blocpdb> 42 atoms in block 162
Block first atom: 6112
Blocpdb> 38 atoms in block 163
Block first atom: 6154
Blocpdb> 39 atoms in block 164
Block first atom: 6192
Blocpdb> 38 atoms in block 165
Block first atom: 6231
Blocpdb> 47 atoms in block 166
Block first atom: 6269
Blocpdb> 33 atoms in block 167
Block first atom: 6316
Blocpdb> 45 atoms in block 168
Block first atom: 6349
Blocpdb> 44 atoms in block 169
Block first atom: 6394
Blocpdb> 37 atoms in block 170
Block first atom: 6438
Blocpdb> 37 atoms in block 171
Block first atom: 6475
Blocpdb> 37 atoms in block 172
Block first atom: 6512
Blocpdb> 30 atoms in block 173
Block first atom: 6549
Blocpdb> 37 atoms in block 174
Block first atom: 6579
Blocpdb> 42 atoms in block 175
Block first atom: 6616
Blocpdb> 35 atoms in block 176
Block first atom: 6658
Blocpdb> 41 atoms in block 177
Block first atom: 6693
Blocpdb> 36 atoms in block 178
Block first atom: 6734
Blocpdb> 48 atoms in block 179
Block first atom: 6770
Blocpdb> 40 atoms in block 180
Block first atom: 6818
Blocpdb> 41 atoms in block 181
Block first atom: 6858
Blocpdb> 33 atoms in block 182
Block first atom: 6899
Blocpdb> 18 atoms in block 183
Block first atom: 6931
Blocpdb> 183 blocks.
Blocpdb> At most, 50 atoms in each of them.
Blocpdb> At least, 18 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> 2641939 matrix lines read.
Prepmat> Matrix order = 20847
Prepmat> Matrix trace = 5778860.0000
Prepmat> Last element read: 20847 20847 288.7065
Prepmat> 16837 lines saved.
Prepmat> 15222 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: 6949
RTB> Total mass = 6949.0000
RTB> Number of atoms found in matrix: 6949
RTB> Number of blocks = 183
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 217347.8456
RTB> 55359 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 = 1098
Diagstd> Nb of non-zero elements: 55359
Diagstd> Projected matrix trace = 217347.8456
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1098 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 217347.8456
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 0.0405048 0.1325865 0.2740445 0.4751029
0.6609590 0.8484395 1.1755010 1.6975973 2.0018677
2.0703170 2.3056340 2.6925436 3.1936773 3.5474903
3.9182490 4.2793334 5.0261561 5.1898393 5.7130009
6.2915314 7.2011863 7.5801117 8.3364400 8.9711421
9.7073319 10.4110715 10.8220406 11.0844428 11.7117356
12.6424130 12.7894626 13.1450180 13.6359474 14.3825175
15.5144589 15.6698191 16.1008517 17.5942356 19.0829154
19.4319667 20.3875852 21.5881593 22.0944298 22.5401520
22.9299613 23.3022362 24.2822082 24.8956947 25.1224359
25.9682965 26.5210689 26.6835192 26.9733353 27.4985063
27.6220662 28.4522805 28.9502937 29.1950204 29.4100615
30.0825973 30.5507941 31.0366817 31.1465311 31.7962558
32.2350245 32.5020127 33.1473212 33.3478634 33.4963378
33.9432125 34.3072240 34.5535443 35.3249509 35.9746510
36.3788184 36.8548528 37.3252847 37.5718041 38.7119505
38.9901913 39.2430161 39.5272891 39.9118115 40.0735723
40.6962910 41.1357549 41.2672025 41.4534861 42.1584876
42.5965957 43.0234232 43.3819766 43.7404470 43.9896559
44.4738628 44.7555474 45.5693626 45.6216025 45.8558351
46.8418523
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034319 0.0034329 0.0034334 0.0034335
0.0034345 21.8548853 39.5407502 56.8467729 74.8495360
88.2841094 100.0243478 117.7353214 141.4857216 153.6430655
156.2477253 164.8885368 178.1872619 194.0621321 204.5294674
214.9519032 224.6380617 243.4519548 247.3843569 259.5538201
272.3789024 291.4052050 298.9737674 313.5346863 325.2513796
338.3336700 350.3829743 357.2315921 361.5365533 371.6258444
386.1093046 388.3483174 393.7094805 400.9940593 411.8250270
427.7239770 429.8602345 435.7322507 455.4917143 474.3704665
478.6892331 490.3183812 504.5486954 510.4305729 515.5534535
519.9923338 524.1964560 535.1054439 541.8229608 544.2847338
553.3717835 559.2304258 560.9405468 563.9785747 569.4424409
570.7203541 579.2336998 584.2810044 586.7453709 588.9022946
595.5976081 600.2145673 604.9687223 606.0383712 612.3268052
616.5371951 619.0851808 625.2007623 627.0891508 628.4835918
632.6620027 636.0453320 638.3245988 645.4105555 651.3187413
654.9672353 659.2385884 663.4326554 665.6199116 675.6438179
678.0675539 680.2624040 682.7218388 686.0345691 687.4233971
692.7438760 696.4741728 697.5860621 699.1587704 705.0790188
708.7331163 712.2750988 715.2369592 718.1859235 720.2289307
724.1819672 726.4717266 733.0468932 733.4669480 735.3474385
743.2113107
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6949
Rtb_to_modes> Number of blocs = 183
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: 9.9875E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9879E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9939E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.0505E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1326
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.2740
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.4751
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.6610
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.8484
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.176
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.698
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.002
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.070
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.306
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.693
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.194
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.547
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.918
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.279
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.026
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.190
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 5.713
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.292
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.201
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.580
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.336
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 8.971
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 9.707
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 10.41
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 10.82
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 11.08
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 11.71
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 12.64
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 12.79
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 13.15
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 13.64
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 14.38
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 15.51
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 15.67
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 16.10
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 17.59
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 19.08
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 19.43
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 20.39
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 21.59
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 22.09
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 22.54
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 22.93
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 23.30
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 24.28
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 24.90
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 25.12
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 25.97
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 26.52
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 26.68
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 26.97
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 27.50
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 27.62
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 28.45
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 28.95
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 29.20
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 29.41
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 30.08
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 30.55
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 31.04
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 31.15
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 31.80
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 32.24
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 32.50
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 33.15
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 33.35
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 33.50
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 33.94
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 34.31
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 34.55
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 35.32
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 35.97
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 36.38
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 36.85
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 37.33
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 37.57
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 38.71
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 38.99
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 39.24
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 39.53
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 39.91
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 40.07
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 40.70
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 41.14
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 41.27
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 41.45
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 42.16
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 42.60
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 43.02
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 43.38
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 43.74
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 43.99
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 44.47
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 44.76
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 45.57
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 45.62
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 45.86
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 46.84
Rtb_to_modes> 106 vectors, with 1098 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00001 1.00000
1.00000 0.99999 0.99998 1.00000 1.00000
0.99999 1.00002 0.99998 0.99998 0.99998
1.00000 0.99998 0.99998 0.99998 1.00000
0.99999 1.00001 0.99999 0.99997 0.99998
1.00002 1.00000 1.00000 1.00002 0.99999
0.99997 0.99997 1.00001 0.99998 0.99998
1.00002 1.00002 1.00002 0.99998 0.99998
1.00002 0.99999 1.00000 0.99998 0.99999
1.00000 0.99996 1.00000 1.00003 1.00000
1.00000 1.00000 0.99997 1.00001 0.99996
1.00000 0.99997 0.99998 1.00000 1.00002
1.00001 0.99998 1.00000 1.00000 1.00002
1.00000 0.99997 1.00000 0.99997 1.00002
1.00001 1.00002 0.99999 0.99999 1.00001
0.99999 1.00003 1.00000 0.99998 1.00002
1.00003 1.00000 0.99999 0.99999 1.00002
1.00001 0.99998 0.99999 1.00003 0.99997
1.00000 1.00002 1.00000 1.00001 1.00001
0.99999 1.00002 1.00000 1.00000 1.00002
1.00000 0.99999 0.99998 1.00000 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 125082 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 1.00001 1.00000
1.00000 0.99999 0.99998 1.00000 1.00000
0.99999 1.00002 0.99998 0.99998 0.99998
1.00000 0.99998 0.99998 0.99998 1.00000
0.99999 1.00001 0.99999 0.99997 0.99998
1.00002 1.00000 1.00000 1.00002 0.99999
0.99997 0.99997 1.00001 0.99998 0.99998
1.00002 1.00002 1.00002 0.99998 0.99998
1.00002 0.99999 1.00000 0.99998 0.99999
1.00000 0.99996 1.00000 1.00003 1.00000
1.00000 1.00000 0.99997 1.00001 0.99996
1.00000 0.99997 0.99998 1.00000 1.00002
1.00001 0.99998 1.00000 1.00000 1.00002
1.00000 0.99997 1.00000 0.99997 1.00002
1.00001 1.00002 0.99999 0.99999 1.00001
0.99999 1.00003 1.00000 0.99998 1.00002
1.00003 1.00000 0.99999 0.99999 1.00002
1.00001 0.99998 0.99999 1.00003 0.99997
1.00000 1.00002 1.00000 1.00001 1.00001
0.99999 1.00002 1.00000 1.00000 1.00002
1.00000 0.99999 0.99998 1.00000 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4: 0.000 0.000-0.000
Vector 5:-0.000 0.000 0.000 0.000
Vector 6:-0.000 0.000 0.000-0.000-0.000
Vector 7: 0.000 0.000 0.000 0.000-0.000 0.000
Vector 8:-0.000 0.000-0.000 0.000-0.000-0.000 0.000
Vector 9: 0.000 0.000 0.000-0.000-0.000 0.000-0.000 0.000
Vector 10:-0.000-0.000-0.000 0.000-0.000 0.000 0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240507033556759822.eigenfacs
Openam> file on opening on unit 10:
240507033556759822.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240507033556759822.atom
Openam> file on opening on unit 11:
240507033556759822.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 = 905
First residue number = 1
Last residue number = 307
Number of atoms found = 6949
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9875E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9879E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9939E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.0505E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2740
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4751
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6610
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.176
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.002
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.306
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.693
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.547
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 5.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.201
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.336
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 8.971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 9.707
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 10.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 10.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 11.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 12.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 13.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 14.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 15.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 15.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 16.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 17.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 19.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 19.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 20.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 21.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 22.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 22.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 22.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 23.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 24.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 24.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 25.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 25.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 26.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 26.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 26.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 27.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 27.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 28.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 28.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 29.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 29.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 30.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 30.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 31.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 31.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 31.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 32.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 32.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 33.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 33.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 33.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 33.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 34.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 34.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 35.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 35.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 36.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 36.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 37.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 37.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 38.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 38.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 39.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 39.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 39.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 40.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 40.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 41.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 41.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 41.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 42.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 42.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 43.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 43.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 43.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 43.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 44.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 44.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 45.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 45.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 45.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 46.84
Bfactors> 106 vectors, 20847 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 : 0.040505
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= 0.355 for 905 C-alpha atoms.
Bfactors> = 0.108 +/- 0.09
Bfactors> = 50.280 +/- 21.66
Bfactors> Shiftng-fct= 50.173
Bfactors> Scaling-fct= 251.415
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240507033556759822 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=0
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=100
240507033556759822.eigenfacs
240507033556759822.atom
making animated gifs
11 models are in 240507033556759822.7.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 240507033556759822.7.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 240507033556759822.7.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 240507033556759822 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=0
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=100
240507033556759822.eigenfacs
240507033556759822.atom
making animated gifs
11 models are in 240507033556759822.8.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 240507033556759822.8.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 240507033556759822.8.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 240507033556759822 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=0
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=100
240507033556759822.eigenfacs
240507033556759822.atom
making animated gifs
11 models are in 240507033556759822.9.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 240507033556759822.9.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 240507033556759822.9.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 240507033556759822 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=0
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=100
240507033556759822.eigenfacs
240507033556759822.atom
making animated gifs
11 models are in 240507033556759822.10.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 240507033556759822.10.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 240507033556759822.10.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 240507033556759822 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=-20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=0
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=20
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=40
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=60
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=80
240507033556759822.eigenfacs
240507033556759822.atom
calculating perturbed structure for DQ=100
240507033556759822.eigenfacs
240507033556759822.atom
making animated gifs
11 models are in 240507033556759822.11.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 240507033556759822.11.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 240507033556759822.11.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
240507033556759822.10.pdb
240507033556759822.11.pdb
240507033556759822.7.pdb
240507033556759822.8.pdb
240507033556759822.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m33.575s
user 0m33.410s
sys 0m0.164s
../../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: 240507033556759822.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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