*** rec.pdb ***
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 = 2403300518111517192.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 2403300518111517192.atom to be opened.
Openam> File opened: 2403300518111517192.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 = 810
First residue number = 27
Last residue number = 209
Number of atoms found = 7775
Mean number per residue = 9.6
Pdbmat> Coordinate statistics:
= 9.685958 +/- 13.684508 From: -20.405000 To: 55.733000
= 10.738869 +/- 25.471576 From: -35.624000 To: 68.718000
= 18.781343 +/- 20.874058 From: -23.522000 To: 64.057000
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 1.3085 % Filled.
Pdbmat> 3559627 non-zero elements.
Pdbmat> 390398 atom-atom interactions.
Pdbmat> Number per atom= 100.42 +/- 25.36
Maximum number = 162
Minimum number = 10
Pdbmat> Matrix trace = 7.807960E+06
Pdbmat> Larger element = 620.247
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
810 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 = 2403300518111517192.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 2403300518111517192.atom to be opened.
Openam> file on opening on unit 11:
2403300518111517192.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 7775 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> 810 residues.
Blocpdb> 42 atoms in block 1
Block first atom: 1
Blocpdb> 43 atoms in block 2
Block first atom: 43
Blocpdb> 51 atoms in block 3
Block first atom: 86
Blocpdb> 56 atoms in block 4
Block first atom: 137
Blocpdb> 49 atoms in block 5
Block first atom: 193
Blocpdb> 45 atoms in block 6
Block first atom: 242
Blocpdb> 51 atoms in block 7
Block first atom: 287
Blocpdb> 47 atoms in block 8
Block first atom: 338
Blocpdb> 51 atoms in block 9
Block first atom: 385
Blocpdb> 54 atoms in block 10
Block first atom: 436
Blocpdb> 50 atoms in block 11
Block first atom: 490
Blocpdb> 43 atoms in block 12
Block first atom: 540
Blocpdb> 55 atoms in block 13
Block first atom: 583
Blocpdb> 42 atoms in block 14
Block first atom: 638
Blocpdb> 49 atoms in block 15
Block first atom: 680
Blocpdb> 46 atoms in block 16
Block first atom: 729
Blocpdb> 41 atoms in block 17
Block first atom: 775
Blocpdb> 47 atoms in block 18
Block first atom: 816
Blocpdb> 35 atoms in block 19
Block first atom: 863
Blocpdb> 42 atoms in block 20
Block first atom: 898
Blocpdb> 51 atoms in block 21
Block first atom: 940
Blocpdb> 41 atoms in block 22
Block first atom: 991
Blocpdb> 43 atoms in block 23
Block first atom: 1032
Blocpdb> 49 atoms in block 24
Block first atom: 1075
Blocpdb> 48 atoms in block 25
Block first atom: 1124
Blocpdb> 52 atoms in block 26
Block first atom: 1172
Blocpdb> 46 atoms in block 27
Block first atom: 1224
Blocpdb> 54 atoms in block 28
Block first atom: 1270
Blocpdb> 52 atoms in block 29
Block first atom: 1324
Blocpdb> 48 atoms in block 30
Block first atom: 1376
Blocpdb> 49 atoms in block 31
Block first atom: 1424
Blocpdb> 49 atoms in block 32
Block first atom: 1473
Blocpdb> 52 atoms in block 33
Block first atom: 1522
Blocpdb> 51 atoms in block 34
Block first atom: 1574
Blocpdb> 50 atoms in block 35
Block first atom: 1625
Blocpdb> 45 atoms in block 36
Block first atom: 1675
Blocpdb> 43 atoms in block 37
Block first atom: 1720
Blocpdb> 47 atoms in block 38
Block first atom: 1763
Blocpdb> 45 atoms in block 39
Block first atom: 1810
Blocpdb> 50 atoms in block 40
Block first atom: 1855
Blocpdb> 60 atoms in block 41
Block first atom: 1905
Blocpdb> 57 atoms in block 42
Block first atom: 1965
Blocpdb> 49 atoms in block 43
Block first atom: 2022
Blocpdb> 46 atoms in block 44
Block first atom: 2071
Blocpdb> 41 atoms in block 45
Block first atom: 2117
Blocpdb> 44 atoms in block 46
Block first atom: 2158
Blocpdb> 48 atoms in block 47
Block first atom: 2202
Blocpdb> 60 atoms in block 48
Block first atom: 2250
Blocpdb> 48 atoms in block 49
Block first atom: 2310
Blocpdb> 48 atoms in block 50
Block first atom: 2358
Blocpdb> 40 atoms in block 51
Block first atom: 2406
Blocpdb> 48 atoms in block 52
Block first atom: 2446
Blocpdb> 54 atoms in block 53
Block first atom: 2494
Blocpdb> 60 atoms in block 54
Block first atom: 2548
Blocpdb> 45 atoms in block 55
Block first atom: 2608
Blocpdb> 48 atoms in block 56
Block first atom: 2653
Blocpdb> 45 atoms in block 57
Block first atom: 2701
Blocpdb> 45 atoms in block 58
Block first atom: 2746
Blocpdb> 44 atoms in block 59
Block first atom: 2791
Blocpdb> 59 atoms in block 60
Block first atom: 2835
Blocpdb> 50 atoms in block 61
Block first atom: 2894
Blocpdb> 59 atoms in block 62
Block first atom: 2944
Blocpdb> 48 atoms in block 63
Block first atom: 3003
Blocpdb> 48 atoms in block 64
Block first atom: 3051
Blocpdb> 53 atoms in block 65
Block first atom: 3099
Blocpdb> 56 atoms in block 66
Block first atom: 3152
Blocpdb> 49 atoms in block 67
Block first atom: 3208
Blocpdb> 40 atoms in block 68
Block first atom: 3257
Blocpdb> 47 atoms in block 69
Block first atom: 3297
Blocpdb> 43 atoms in block 70
Block first atom: 3344
Blocpdb> 47 atoms in block 71
Block first atom: 3387
Blocpdb> 50 atoms in block 72
Block first atom: 3434
Blocpdb> 44 atoms in block 73
Block first atom: 3484
Blocpdb> 49 atoms in block 74
Block first atom: 3528
Blocpdb> 40 atoms in block 75
Block first atom: 3577
Blocpdb> 54 atoms in block 76
Block first atom: 3617
Blocpdb> 44 atoms in block 77
Block first atom: 3671
Blocpdb> 43 atoms in block 78
Block first atom: 3715
Blocpdb> 46 atoms in block 79
Block first atom: 3758
Blocpdb> 53 atoms in block 80
Block first atom: 3804
Blocpdb> 54 atoms in block 81
Block first atom: 3857
Blocpdb> 53 atoms in block 82
Block first atom: 3911
Blocpdb> 47 atoms in block 83
Block first atom: 3964
Blocpdb> 46 atoms in block 84
Block first atom: 4011
Blocpdb> 60 atoms in block 85
Block first atom: 4057
Blocpdb> 47 atoms in block 86
Block first atom: 4117
Blocpdb> 55 atoms in block 87
Block first atom: 4164
Blocpdb> 43 atoms in block 88
Block first atom: 4219
Blocpdb> 45 atoms in block 89
Block first atom: 4262
Blocpdb> 44 atoms in block 90
Block first atom: 4307
Blocpdb> 44 atoms in block 91
Block first atom: 4351
Blocpdb> 53 atoms in block 92
Block first atom: 4395
Blocpdb> 46 atoms in block 93
Block first atom: 4448
Blocpdb> 57 atoms in block 94
Block first atom: 4494
Blocpdb> 50 atoms in block 95
Block first atom: 4551
Blocpdb> 45 atoms in block 96
Block first atom: 4601
Blocpdb> 52 atoms in block 97
Block first atom: 4646
Blocpdb> 42 atoms in block 98
Block first atom: 4698
Blocpdb> 44 atoms in block 99
Block first atom: 4740
Blocpdb> 49 atoms in block 100
Block first atom: 4784
Blocpdb> 51 atoms in block 101
Block first atom: 4833
Blocpdb> 50 atoms in block 102
Block first atom: 4884
Blocpdb> 55 atoms in block 103
Block first atom: 4934
Blocpdb> 44 atoms in block 104
Block first atom: 4989
Blocpdb> 52 atoms in block 105
Block first atom: 5033
Blocpdb> 49 atoms in block 106
Block first atom: 5085
Blocpdb> 52 atoms in block 107
Block first atom: 5134
Blocpdb> 55 atoms in block 108
Block first atom: 5186
Blocpdb> 44 atoms in block 109
Block first atom: 5241
Blocpdb> 47 atoms in block 110
Block first atom: 5285
Blocpdb> 53 atoms in block 111
Block first atom: 5332
Blocpdb> 39 atoms in block 112
Block first atom: 5385
Blocpdb> 53 atoms in block 113
Block first atom: 5424
Blocpdb> 59 atoms in block 114
Block first atom: 5477
Blocpdb> 59 atoms in block 115
Block first atom: 5536
Blocpdb> 53 atoms in block 116
Block first atom: 5595
Blocpdb> 41 atoms in block 117
Block first atom: 5648
Blocpdb> 49 atoms in block 118
Block first atom: 5689
Blocpdb> 38 atoms in block 119
Block first atom: 5738
Blocpdb> 46 atoms in block 120
Block first atom: 5776
Blocpdb> 7 atoms in block 121
Block first atom: 5822
Blocpdb> 40 atoms in block 122
Block first atom: 5829
Blocpdb> 44 atoms in block 123
Block first atom: 5869
Blocpdb> 56 atoms in block 124
Block first atom: 5913
Blocpdb> 41 atoms in block 125
Block first atom: 5969
Blocpdb> 41 atoms in block 126
Block first atom: 6010
Blocpdb> 45 atoms in block 127
Block first atom: 6051
Blocpdb> 51 atoms in block 128
Block first atom: 6096
Blocpdb> 51 atoms in block 129
Block first atom: 6147
Blocpdb> 45 atoms in block 130
Block first atom: 6198
Blocpdb> 52 atoms in block 131
Block first atom: 6243
Blocpdb> 42 atoms in block 132
Block first atom: 6295
Blocpdb> 55 atoms in block 133
Block first atom: 6337
Blocpdb> 45 atoms in block 134
Block first atom: 6392
Blocpdb> 48 atoms in block 135
Block first atom: 6437
Blocpdb> 35 atoms in block 136
Block first atom: 6485
Blocpdb> 52 atoms in block 137
Block first atom: 6520
Blocpdb> 54 atoms in block 138
Block first atom: 6572
Blocpdb> 47 atoms in block 139
Block first atom: 6626
Blocpdb> 42 atoms in block 140
Block first atom: 6673
Blocpdb> 44 atoms in block 141
Block first atom: 6715
Blocpdb> 48 atoms in block 142
Block first atom: 6759
Blocpdb> 47 atoms in block 143
Block first atom: 6807
Blocpdb> 40 atoms in block 144
Block first atom: 6854
Blocpdb> 41 atoms in block 145
Block first atom: 6894
Blocpdb> 63 atoms in block 146
Block first atom: 6935
Blocpdb> 61 atoms in block 147
Block first atom: 6998
Blocpdb> 41 atoms in block 148
Block first atom: 7059
Blocpdb> 48 atoms in block 149
Block first atom: 7100
Blocpdb> 45 atoms in block 150
Block first atom: 7148
Blocpdb> 49 atoms in block 151
Block first atom: 7193
Blocpdb> 42 atoms in block 152
Block first atom: 7242
Blocpdb> 56 atoms in block 153
Block first atom: 7284
Blocpdb> 41 atoms in block 154
Block first atom: 7340
Blocpdb> 51 atoms in block 155
Block first atom: 7381
Blocpdb> 46 atoms in block 156
Block first atom: 7432
Blocpdb> 50 atoms in block 157
Block first atom: 7478
Blocpdb> 53 atoms in block 158
Block first atom: 7528
Blocpdb> 48 atoms in block 159
Block first atom: 7581
Blocpdb> 31 atoms in block 160
Block first atom: 7629
Blocpdb> 37 atoms in block 161
Block first atom: 7660
Blocpdb> 46 atoms in block 162
Block first atom: 7697
Blocpdb> 33 atoms in block 163
Block first atom: 7742
Blocpdb> 163 blocks.
Blocpdb> At most, 63 atoms in each of them.
Blocpdb> At least, 7 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> 3559790 matrix lines read.
Prepmat> Matrix order = 23325
Prepmat> Matrix trace = 7807960.0000
Prepmat> Last element read: 23325 23325 356.8563
Prepmat> 13367 lines saved.
Prepmat> 12012 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: 7775
RTB> Total mass = 7775.0000
RTB> Number of atoms found in matrix: 7775
RTB> Number of blocks = 163
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 233028.6065
RTB> 46299 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 = 978
Diagstd> Nb of non-zero elements: 46299
Diagstd> Projected matrix trace = 233028.6065
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 978 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 233028.6065
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 0.0975377 0.2869460 0.3270304 0.3827005
0.6106987 1.0133585 1.2501155 1.3658585 1.8145787
2.5675601 3.1835578 3.2344341 3.8689127 4.9705277
5.1431321 5.5679303 6.3513019 7.0264632 7.7671481
8.5576594 8.8706523 10.3418688 10.9073792 11.6886269
12.0992170 12.6249097 13.4674594 14.3852446 15.4719866
16.3164594 16.7420372 18.0178656 18.7723992 20.8254544
21.6396050 22.3303252 22.7263527 23.1701639 23.6127656
24.1135173 25.2852198 25.9642754 27.1497800 27.6607203
28.3509531 28.7784372 29.8928570 30.3519619 30.8162665
31.9814011 32.3055648 33.3997425 34.0571017 35.0252519
36.0727090 36.6188141 37.7388266 38.0036315 39.0656255
39.5195829 39.8733086 40.7644148 41.3345830 41.6616945
42.7483960 43.3050912 44.0020078 44.3876274 45.6187562
46.0255804 46.3151155 47.0775535 48.1208180 48.6409802
49.0714439 49.5125320 50.0483859 50.5248335 50.7656435
51.2540242 51.5934068 53.0889744 53.0936697 53.5496537
54.0237768 54.7945372 55.0754329 56.0487860 56.5618308
56.8925394 57.5026170 58.2119603 58.6750418 58.8231107
59.3143731 59.7335198 60.9956077 61.2091255 61.8920560
63.3175897
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034320 0.0034321 0.0034328 0.0034338 0.0034343
0.0034346 33.9141954 58.1695037 62.0996804 67.1776492
84.8611203 109.3142662 121.4144443 126.9106699 146.2794043
174.0025399 193.7544350 195.2964884 213.5943424 242.1009695
246.2686445 256.2371978 273.6696637 287.8482989 302.6398228
317.6674963 323.4246075 349.2165290 358.6373248 371.2590316
377.7234193 385.8419294 398.5089853 411.8640683 427.1381087
438.6400093 444.3236509 460.9427110 470.4951712 495.5557539
505.1495206 513.1481932 517.6785276 522.7088262 527.6776606
533.2434901 546.0452669 553.3289386 565.8201867 571.1195451
578.2013642 582.5442009 593.7163278 598.2582058 602.8167214
614.1069653 617.2114149 627.5767411 633.7224952 642.6668725
652.2058038 657.1241346 667.0977515 669.4340974 678.7231645
682.6552847 685.7035804 693.3234452 698.1553342 700.9124036
709.9948394 714.6028749 720.3300406 723.4795276 733.4440678
736.7072050 739.0207901 745.0788283 753.2892691 757.3496680
760.6934884 764.1046603 768.2283289 771.8763341 773.7135955
777.4263656 779.9960143 791.2203491 791.2553369 794.6458388
798.1559429 803.8294468 805.8871666 812.9772368 816.6895703
819.0736219 823.4535108 828.5169397 831.8058762 832.8547633
836.3253339 839.2750905 848.0951144 849.5782152 854.3045807
864.0869921
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 7775
Rtb_to_modes> Number of blocs = 163
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: 9.9886E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9889E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9931E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.7538E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2869
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3270
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.3827
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.6107
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.013
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.250
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.366
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.815
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.568
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.184
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.234
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.869
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.971
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.143
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.568
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.351
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 7.026
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 7.767
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 8.558
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 8.871
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 10.34
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 10.91
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 11.69
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 12.10
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 12.62
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 13.47
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 14.39
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 15.47
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 16.32
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 16.74
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 18.02
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 18.77
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 20.83
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 21.64
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 22.33
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 22.73
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 23.17
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 23.61
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 24.11
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 25.29
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 25.96
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 27.15
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 27.66
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 28.35
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 28.78
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 29.89
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 30.35
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 30.82
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 31.98
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 32.31
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 33.40
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 34.06
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 35.03
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 36.07
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 36.62
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 37.74
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 38.00
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 39.07
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 39.52
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 39.87
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 40.76
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 41.33
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 41.66
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 42.75
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 43.31
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 44.00
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 44.39
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 45.62
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 46.03
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 46.32
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 47.08
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 48.12
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 48.64
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 49.07
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 49.51
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 50.05
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 50.52
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 50.77
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 51.25
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 51.59
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 53.09
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 53.09
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 53.55
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 54.02
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 54.79
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 55.08
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 56.05
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 56.56
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 56.89
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 57.50
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 58.21
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 58.68
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 58.82
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 59.31
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 59.73
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 61.00
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 61.21
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 61.89
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 63.32
Rtb_to_modes> 106 vectors, with 978 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000 1.00001 1.00002 0.99998 1.00004
1.00000 1.00001 0.99999 0.99998 0.99999
0.99998 0.99998 1.00001 1.00000 1.00001
1.00003 0.99998 0.99996 0.99998 1.00001
1.00004 0.99998 1.00000 1.00000 1.00001
1.00002 1.00000 1.00001 1.00000 0.99999
0.99999 1.00001 1.00000 1.00000 0.99999
1.00003 0.99999 0.99999 1.00001 1.00003
0.99999 1.00001 0.99997 0.99999 0.99998
0.99998 1.00003 0.99999 1.00000 1.00002
1.00003 1.00002 1.00001 1.00001 0.99998
1.00002 1.00002 0.99999 0.99998 0.99999
1.00001 1.00001 1.00002 0.99999 0.99999
0.99999 0.99998 0.99999 1.00003 1.00000
1.00000 1.00001 1.00001 0.99999 1.00001
0.99997 0.99999 1.00000 1.00001 0.99998
0.99999 1.00000 1.00001 1.00001 0.99998
1.00001 1.00002 1.00000 0.99998 1.00002
0.99999 1.00000 0.99999 1.00000 0.99998
1.00002 0.99999 1.00002 1.00000 1.00003
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 139950 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000 1.00001 1.00002 0.99998 1.00004
1.00000 1.00001 0.99999 0.99998 0.99999
0.99998 0.99998 1.00001 1.00000 1.00001
1.00003 0.99998 0.99996 0.99998 1.00001
1.00004 0.99998 1.00000 1.00000 1.00001
1.00002 1.00000 1.00001 1.00000 0.99999
0.99999 1.00001 1.00000 1.00000 0.99999
1.00003 0.99999 0.99999 1.00001 1.00003
0.99999 1.00001 0.99997 0.99999 0.99998
0.99998 1.00003 0.99999 1.00000 1.00002
1.00003 1.00002 1.00001 1.00001 0.99998
1.00002 1.00002 0.99999 0.99998 0.99999
1.00001 1.00001 1.00002 0.99999 0.99999
0.99999 0.99998 0.99999 1.00003 1.00000
1.00000 1.00001 1.00001 0.99999 1.00001
0.99997 0.99999 1.00000 1.00001 0.99998
0.99999 1.00000 1.00001 1.00001 0.99998
1.00001 1.00002 1.00000 0.99998 1.00002
0.99999 1.00000 0.99999 1.00000 0.99998
1.00002 0.99999 1.00002 1.00000 1.00003
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> 2403300518111517192.eigenfacs
Openam> file on opening on unit 10:
2403300518111517192.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403300518111517192.atom
Openam> file on opening on unit 11:
2403300518111517192.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 = 810
First residue number = 27
Last residue number = 209
Number of atoms found = 7775
Mean number per residue = 9.6
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9886E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9889E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9931E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7538E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3270
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6107
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.184
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.971
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.143
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.351
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 7.026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 7.767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 8.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 8.871
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 10.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 10.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 11.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 12.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 13.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 14.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 15.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 16.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 16.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 18.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 18.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 20.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 21.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 22.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 22.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 23.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 23.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 24.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 25.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 25.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 27.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 27.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 28.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 28.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 29.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 30.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 30.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 31.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 32.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 33.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 34.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 35.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 36.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 36.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 37.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 38.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 39.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 39.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 39.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 40.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 41.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 41.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 42.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 43.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 44.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 44.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 45.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 46.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 46.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 47.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 48.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 48.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 49.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 49.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 50.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 50.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 50.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 51.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 51.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 53.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 53.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 53.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 54.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 54.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 55.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 56.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 56.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 56.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 57.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 58.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 58.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 58.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 59.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 59.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 61.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 61.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 61.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 63.32
Bfactors> 106 vectors, 23325 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 : 0.097538
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.057 +/- 0.06
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.057
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403300518111517192 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=0
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=100
2403300518111517192.eigenfacs
2403300518111517192.atom
making animated gifs
11 models are in 2403300518111517192.7.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 2403300518111517192.7.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 2403300518111517192.7.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 2403300518111517192 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=0
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=100
2403300518111517192.eigenfacs
2403300518111517192.atom
making animated gifs
11 models are in 2403300518111517192.8.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 2403300518111517192.8.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 2403300518111517192.8.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 2403300518111517192 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=0
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=100
2403300518111517192.eigenfacs
2403300518111517192.atom
making animated gifs
11 models are in 2403300518111517192.9.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 2403300518111517192.9.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 2403300518111517192.9.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 2403300518111517192 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=0
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=100
2403300518111517192.eigenfacs
2403300518111517192.atom
making animated gifs
11 models are in 2403300518111517192.10.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 2403300518111517192.10.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 2403300518111517192.10.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 2403300518111517192 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=-20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=0
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=20
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=40
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=60
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=80
2403300518111517192.eigenfacs
2403300518111517192.atom
calculating perturbed structure for DQ=100
2403300518111517192.eigenfacs
2403300518111517192.atom
making animated gifs
11 models are in 2403300518111517192.11.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 2403300518111517192.11.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 2403300518111517192.11.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
2403300518111517192.10.pdb
2403300518111517192.11.pdb
2403300518111517192.7.pdb
2403300518111517192.8.pdb
2403300518111517192.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m33.473s
user 0m33.290s
sys 0m0.160s
../../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: 2403300518111517192.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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