*** AEPR2skrtskrt ***
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 = 2403061118461889856.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 2403061118461889856.atom to be opened.
Openam> File opened: 2403061118461889856.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 = 474
First residue number = 1
Last residue number = 474
Number of atoms found = 3712
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 0.211086 +/- 12.820062 From: -36.938000 To: 31.344000
= -3.774359 +/- 13.217722 From: -40.906000 To: 24.531000
= 2.856472 +/- 14.073152 From: -30.188000 To: 42.031000
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 2.2601 % Filled.
Pdbmat> 1401537 non-zero elements.
Pdbmat> 153450 atom-atom interactions.
Pdbmat> Number per atom= 82.68 +/- 27.13
Maximum number = 137
Minimum number = 8
Pdbmat> Matrix trace = 3.069000E+06
Pdbmat> Larger element = 512.248
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
474 non-zero elements, NRBL set to 3
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 = 2403061118461889856.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2403061118461889856.atom to be opened.
Openam> file on opening on unit 11:
2403061118461889856.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3712 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 474 residues.
Blocpdb> 27 atoms in block 1
Block first atom: 1
Blocpdb> 30 atoms in block 2
Block first atom: 28
Blocpdb> 26 atoms in block 3
Block first atom: 58
Blocpdb> 19 atoms in block 4
Block first atom: 84
Blocpdb> 23 atoms in block 5
Block first atom: 103
Blocpdb> 27 atoms in block 6
Block first atom: 126
Blocpdb> 19 atoms in block 7
Block first atom: 153
Blocpdb> 25 atoms in block 8
Block first atom: 172
Blocpdb> 19 atoms in block 9
Block first atom: 197
Blocpdb> 20 atoms in block 10
Block first atom: 216
Blocpdb> 27 atoms in block 11
Block first atom: 236
Blocpdb> 21 atoms in block 12
Block first atom: 263
Blocpdb> 18 atoms in block 13
Block first atom: 284
Blocpdb> 30 atoms in block 14
Block first atom: 302
Blocpdb> 22 atoms in block 15
Block first atom: 332
Blocpdb> 15 atoms in block 16
Block first atom: 354
Blocpdb> 22 atoms in block 17
Block first atom: 369
Blocpdb> 24 atoms in block 18
Block first atom: 391
Blocpdb> 30 atoms in block 19
Block first atom: 415
Blocpdb> 20 atoms in block 20
Block first atom: 445
Blocpdb> 21 atoms in block 21
Block first atom: 465
Blocpdb> 29 atoms in block 22
Block first atom: 486
Blocpdb> 28 atoms in block 23
Block first atom: 515
Blocpdb> 16 atoms in block 24
Block first atom: 543
Blocpdb> 27 atoms in block 25
Block first atom: 559
Blocpdb> 23 atoms in block 26
Block first atom: 586
Blocpdb> 26 atoms in block 27
Block first atom: 609
Blocpdb> 28 atoms in block 28
Block first atom: 635
Blocpdb> 21 atoms in block 29
Block first atom: 663
Blocpdb> 24 atoms in block 30
Block first atom: 684
Blocpdb> 26 atoms in block 31
Block first atom: 708
Blocpdb> 18 atoms in block 32
Block first atom: 734
Blocpdb> 23 atoms in block 33
Block first atom: 752
Blocpdb> 26 atoms in block 34
Block first atom: 775
Blocpdb> 21 atoms in block 35
Block first atom: 801
Blocpdb> 24 atoms in block 36
Block first atom: 822
Blocpdb> 18 atoms in block 37
Block first atom: 846
Blocpdb> 29 atoms in block 38
Block first atom: 864
Blocpdb> 19 atoms in block 39
Block first atom: 893
Blocpdb> 23 atoms in block 40
Block first atom: 912
Blocpdb> 26 atoms in block 41
Block first atom: 935
Blocpdb> 28 atoms in block 42
Block first atom: 961
Blocpdb> 23 atoms in block 43
Block first atom: 989
Blocpdb> 21 atoms in block 44
Block first atom: 1012
Blocpdb> 19 atoms in block 45
Block first atom: 1033
Blocpdb> 15 atoms in block 46
Block first atom: 1052
Blocpdb> 26 atoms in block 47
Block first atom: 1067
Blocpdb> 23 atoms in block 48
Block first atom: 1093
Blocpdb> 22 atoms in block 49
Block first atom: 1116
Blocpdb> 26 atoms in block 50
Block first atom: 1138
Blocpdb> 27 atoms in block 51
Block first atom: 1164
Blocpdb> 29 atoms in block 52
Block first atom: 1191
Blocpdb> 22 atoms in block 53
Block first atom: 1220
Blocpdb> 15 atoms in block 54
Block first atom: 1242
Blocpdb> 19 atoms in block 55
Block first atom: 1257
Blocpdb> 23 atoms in block 56
Block first atom: 1276
Blocpdb> 27 atoms in block 57
Block first atom: 1299
Blocpdb> 25 atoms in block 58
Block first atom: 1326
Blocpdb> 24 atoms in block 59
Block first atom: 1351
Blocpdb> 24 atoms in block 60
Block first atom: 1375
Blocpdb> 26 atoms in block 61
Block first atom: 1399
Blocpdb> 24 atoms in block 62
Block first atom: 1425
Blocpdb> 21 atoms in block 63
Block first atom: 1449
Blocpdb> 26 atoms in block 64
Block first atom: 1470
Blocpdb> 23 atoms in block 65
Block first atom: 1496
Blocpdb> 28 atoms in block 66
Block first atom: 1519
Blocpdb> 20 atoms in block 67
Block first atom: 1547
Blocpdb> 16 atoms in block 68
Block first atom: 1567
Blocpdb> 28 atoms in block 69
Block first atom: 1583
Blocpdb> 20 atoms in block 70
Block first atom: 1611
Blocpdb> 24 atoms in block 71
Block first atom: 1631
Blocpdb> 24 atoms in block 72
Block first atom: 1655
Blocpdb> 26 atoms in block 73
Block first atom: 1679
Blocpdb> 18 atoms in block 74
Block first atom: 1705
Blocpdb> 22 atoms in block 75
Block first atom: 1723
Blocpdb> 21 atoms in block 76
Block first atom: 1745
Blocpdb> 25 atoms in block 77
Block first atom: 1766
Blocpdb> 25 atoms in block 78
Block first atom: 1791
Blocpdb> 21 atoms in block 79
Block first atom: 1816
Blocpdb> 20 atoms in block 80
Block first atom: 1837
Blocpdb> 22 atoms in block 81
Block first atom: 1857
Blocpdb> 27 atoms in block 82
Block first atom: 1879
Blocpdb> 18 atoms in block 83
Block first atom: 1906
Blocpdb> 28 atoms in block 84
Block first atom: 1924
Blocpdb> 19 atoms in block 85
Block first atom: 1952
Blocpdb> 31 atoms in block 86
Block first atom: 1971
Blocpdb> 23 atoms in block 87
Block first atom: 2002
Blocpdb> 25 atoms in block 88
Block first atom: 2025
Blocpdb> 26 atoms in block 89
Block first atom: 2050
Blocpdb> 23 atoms in block 90
Block first atom: 2076
Blocpdb> 27 atoms in block 91
Block first atom: 2099
Blocpdb> 29 atoms in block 92
Block first atom: 2126
Blocpdb> 25 atoms in block 93
Block first atom: 2155
Blocpdb> 24 atoms in block 94
Block first atom: 2180
Blocpdb> 24 atoms in block 95
Block first atom: 2204
Blocpdb> 22 atoms in block 96
Block first atom: 2228
Blocpdb> 15 atoms in block 97
Block first atom: 2250
Blocpdb> 25 atoms in block 98
Block first atom: 2265
Blocpdb> 25 atoms in block 99
Block first atom: 2290
Blocpdb> 26 atoms in block 100
Block first atom: 2315
Blocpdb> 28 atoms in block 101
Block first atom: 2341
Blocpdb> 25 atoms in block 102
Block first atom: 2369
Blocpdb> 32 atoms in block 103
Block first atom: 2394
Blocpdb> 24 atoms in block 104
Block first atom: 2426
Blocpdb> 20 atoms in block 105
Block first atom: 2450
Blocpdb> 22 atoms in block 106
Block first atom: 2470
Blocpdb> 24 atoms in block 107
Block first atom: 2492
Blocpdb> 23 atoms in block 108
Block first atom: 2516
Blocpdb> 27 atoms in block 109
Block first atom: 2539
Blocpdb> 21 atoms in block 110
Block first atom: 2566
Blocpdb> 20 atoms in block 111
Block first atom: 2587
Blocpdb> 28 atoms in block 112
Block first atom: 2607
Blocpdb> 21 atoms in block 113
Block first atom: 2635
Blocpdb> 27 atoms in block 114
Block first atom: 2656
Blocpdb> 36 atoms in block 115
Block first atom: 2683
Blocpdb> 29 atoms in block 116
Block first atom: 2719
Blocpdb> 26 atoms in block 117
Block first atom: 2748
Blocpdb> 24 atoms in block 118
Block first atom: 2774
Blocpdb> 26 atoms in block 119
Block first atom: 2798
Blocpdb> 22 atoms in block 120
Block first atom: 2824
Blocpdb> 28 atoms in block 121
Block first atom: 2846
Blocpdb> 21 atoms in block 122
Block first atom: 2874
Blocpdb> 25 atoms in block 123
Block first atom: 2895
Blocpdb> 28 atoms in block 124
Block first atom: 2920
Blocpdb> 22 atoms in block 125
Block first atom: 2948
Blocpdb> 21 atoms in block 126
Block first atom: 2970
Blocpdb> 19 atoms in block 127
Block first atom: 2991
Blocpdb> 25 atoms in block 128
Block first atom: 3010
Blocpdb> 26 atoms in block 129
Block first atom: 3035
Blocpdb> 16 atoms in block 130
Block first atom: 3061
Blocpdb> 20 atoms in block 131
Block first atom: 3077
Blocpdb> 22 atoms in block 132
Block first atom: 3097
Blocpdb> 25 atoms in block 133
Block first atom: 3119
Blocpdb> 19 atoms in block 134
Block first atom: 3144
Blocpdb> 22 atoms in block 135
Block first atom: 3163
Blocpdb> 30 atoms in block 136
Block first atom: 3185
Blocpdb> 22 atoms in block 137
Block first atom: 3215
Blocpdb> 28 atoms in block 138
Block first atom: 3237
Blocpdb> 26 atoms in block 139
Block first atom: 3265
Blocpdb> 26 atoms in block 140
Block first atom: 3291
Blocpdb> 20 atoms in block 141
Block first atom: 3317
Blocpdb> 22 atoms in block 142
Block first atom: 3337
Blocpdb> 25 atoms in block 143
Block first atom: 3359
Blocpdb> 27 atoms in block 144
Block first atom: 3384
Blocpdb> 24 atoms in block 145
Block first atom: 3411
Blocpdb> 24 atoms in block 146
Block first atom: 3435
Blocpdb> 22 atoms in block 147
Block first atom: 3459
Blocpdb> 20 atoms in block 148
Block first atom: 3481
Blocpdb> 15 atoms in block 149
Block first atom: 3501
Blocpdb> 23 atoms in block 150
Block first atom: 3516
Blocpdb> 20 atoms in block 151
Block first atom: 3539
Blocpdb> 20 atoms in block 152
Block first atom: 3559
Blocpdb> 18 atoms in block 153
Block first atom: 3579
Blocpdb> 24 atoms in block 154
Block first atom: 3597
Blocpdb> 29 atoms in block 155
Block first atom: 3621
Blocpdb> 20 atoms in block 156
Block first atom: 3650
Blocpdb> 20 atoms in block 157
Block first atom: 3670
Blocpdb> 23 atoms in block 158
Block first atom: 3689
Blocpdb> 158 blocks.
Blocpdb> At most, 36 atoms in each of them.
Blocpdb> At least, 15 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> 1401695 matrix lines read.
Prepmat> Matrix order = 11136
Prepmat> Matrix trace = 3069000.0000
Prepmat> Last element read: 11136 11136 281.9950
Prepmat> 12562 lines saved.
Prepmat> 10974 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: 3712
RTB> Total mass = 3712.0000
RTB> Number of atoms found in matrix: 3712
RTB> Number of blocks = 158
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 205976.0469
RTB> 54762 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 = 948
Diagstd> Nb of non-zero elements: 54762
Diagstd> Projected matrix trace = 205976.0469
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 948 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 205976.0469
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 0.0002027 0.0006354 0.0045446 0.0074255
0.0518030 0.0791851 0.0999163 0.2501265 0.2976752
0.3616586 0.5924622 0.7716297 0.8585562 1.1934846
1.7745490 1.9185810 2.0172873 2.1942616 2.4834238
3.1131046 3.5653960 3.7391691 4.1288025 4.4318320
4.9197235 5.2571690 5.3582622 5.9328909 6.2925646
6.8682698 7.7839893 7.9116667 8.4787067 8.8472160
9.2496160 9.6900278 10.1198688 10.1724354 10.5735318
11.1122077 11.2634951 12.0037645 12.7156260 14.2743515
14.9677371 15.0982569 16.5001125 16.7836254 17.5510267
17.6572843 18.3419035 18.6000325 18.7849097 19.5943634
20.7746170 20.9282006 21.9395123 22.5486165 22.7691826
23.1419640 23.9395294 24.3156229 24.9547200 25.9357988
26.6717321 27.4134901 27.7085108 28.0781666 28.6212662
29.4146927 29.7448705 30.2328938 31.0764958 31.2472939
32.2085123 32.7882424 33.1119883 33.4221343 34.5587777
34.9826899 35.6235473 35.8501445 36.0164883 36.6313726
37.5164811 37.8119333 38.6719620 38.7946934 39.6176684
39.9557079 40.2557022 40.4645940 42.1828672 43.2480467
43.4129183 44.0318746 44.2233513 44.7323275 45.5475248
45.7284314
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034314 0.0034322 0.0034340 0.0034340 0.0034343
0.0034347 1.5460055 2.7373681 7.3205226 9.3574548
24.7156858 30.5574523 34.3252287 54.3094151 59.2470375
65.3047336 83.5844706 95.3893202 100.6189210 118.6325022
144.6569415 150.4129910 154.2336563 160.8568203 171.1278523
191.5985142 205.0449929 209.9823696 220.6517279 228.6056311
240.8605245 248.9838913 251.3664206 264.5016966 272.4012665
284.5895523 302.9677457 305.4423642 316.1987048 322.9970799
330.2608788 338.0319821 345.4480307 346.3440662 353.1061793
361.9890682 364.4448920 376.2305123 387.2256816 410.2735072
420.1199963 421.9477604 441.1017008 444.8751720 454.9320597
456.3071092 465.0690972 468.3301655 470.6519218 480.6853198
494.9505299 496.7767074 508.6379559 515.6502468 518.1661044
522.3906407 531.3162325 535.4734963 542.4648859 553.0254207
560.8166387 568.5614966 571.6127051 575.4129793 580.9512646
588.9486598 592.2448895 597.0835958 605.3566272 607.0178840
616.2836032 621.8051988 624.8674615 627.7870755 638.3729362
642.2762762 648.1325937 650.1906731 651.6973624 657.2368059
665.1296809 667.7435808 675.2947657 676.3654922 683.5019162
686.4117279 688.9837573 690.7690554 705.2828578 714.1320574
715.4919814 720.5744654 722.1395078 726.2832499 732.8712264
734.3252006
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3712
Rtb_to_modes> Number of blocs = 158
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: 9.9853E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9898E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
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: 2.0269E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 6.3544E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.5446E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.4255E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.1803E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.9185E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.9916E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2501
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2977
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3617
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5925
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.7716
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8586
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 1.193
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.775
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.919
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2.017
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2.194
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2.483
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 3.113
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 3.565
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 3.739
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 4.129
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 4.432
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.920
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 5.257
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 5.358
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.933
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 6.293
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.868
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 7.784
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 7.912
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 8.479
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 8.847
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 9.250
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 9.690
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 10.12
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 10.17
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 10.57
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.11
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 11.26
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 12.00
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 12.72
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 14.27
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 14.97
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 15.10
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 16.50
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 16.78
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 17.55
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 17.66
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.34
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 18.60
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 18.78
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 19.59
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 20.77
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 20.93
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 21.94
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 22.55
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 22.77
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 23.14
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 23.94
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 24.32
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 24.95
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 25.94
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 26.67
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 27.41
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 27.71
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 28.08
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 28.62
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 29.41
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 29.74
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 30.23
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 31.08
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 31.25
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 32.21
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 32.79
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 33.11
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 33.42
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 34.56
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 34.98
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 35.62
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 35.85
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 36.02
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 36.63
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 37.52
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 37.81
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 38.67
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 38.79
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 39.62
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 39.96
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 40.26
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 40.46
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 42.18
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 43.25
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 43.41
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 44.03
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 44.22
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 44.73
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 45.55
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 45.73
Rtb_to_modes> 106 vectors, with 948 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 1.00000
1.00000 0.99997 0.99997 1.00004 0.99997
0.99996 0.99999 1.00008 0.99999 1.00000
1.00001 0.99998 0.99999 1.00001 0.99997
1.00001 0.99997 1.00003 1.00000 0.99998
0.99998 1.00001 1.00005 0.99998 1.00002
1.00000 1.00000 1.00000 1.00002 1.00001
0.99999 1.00001 1.00001 1.00000 0.99999
1.00000 1.00000 1.00004 1.00004 1.00002
0.99998 1.00001 0.99998 1.00001 0.99997
1.00002 0.99999 0.99998 1.00001 1.00001
1.00001 1.00002 1.00001 0.99998 1.00000
0.99999 1.00003 1.00001 0.99997 1.00000
1.00001 1.00000 1.00000 1.00001 0.99998
0.99997 1.00001 0.99999 0.99997 0.99998
1.00000 0.99999 0.99999 1.00002 1.00000
1.00002 1.00000 0.99999 0.99997 1.00001
1.00000 1.00001 1.00002 1.00001 1.00002
1.00002 1.00001 1.00002 0.99997 1.00001
1.00001 0.99998 0.99999 1.00000 1.00001
1.00001 1.00000 0.99999 1.00002 1.00002
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 66816 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00000 1.00000 1.00000
1.00000 0.99997 0.99997 1.00004 0.99997
0.99996 0.99999 1.00008 0.99999 1.00000
1.00001 0.99998 0.99999 1.00001 0.99997
1.00001 0.99997 1.00003 1.00000 0.99998
0.99998 1.00001 1.00005 0.99998 1.00002
1.00000 1.00000 1.00000 1.00002 1.00001
0.99999 1.00001 1.00001 1.00000 0.99999
1.00000 1.00000 1.00004 1.00004 1.00002
0.99998 1.00001 0.99998 1.00001 0.99997
1.00002 0.99999 0.99998 1.00001 1.00001
1.00001 1.00002 1.00001 0.99998 1.00000
0.99999 1.00003 1.00001 0.99997 1.00000
1.00001 1.00000 1.00000 1.00001 0.99998
0.99997 1.00001 0.99999 0.99997 0.99998
1.00000 0.99999 0.99999 1.00002 1.00000
1.00002 1.00000 0.99999 0.99997 1.00001
1.00000 1.00001 1.00002 1.00001 1.00002
1.00002 1.00001 1.00002 0.99997 1.00001
1.00001 0.99998 0.99999 1.00000 1.00001
1.00001 1.00000 0.99999 1.00002 1.00002
0.99997
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> 2403061118461889856.eigenfacs
Openam> file on opening on unit 10:
2403061118461889856.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403061118461889856.atom
Openam> file on opening on unit 11:
2403061118461889856.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 = 474
First residue number = 1
Last residue number = 474
Number of atoms found = 3712
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9853E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9898E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
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: 2.0269E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.3544E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.5446E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.4255E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.1803E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.9185E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2977
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3617
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5925
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7716
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8586
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 1.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.919
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 3.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 3.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 4.129
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 4.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 5.257
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 5.358
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.933
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 6.293
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.868
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 7.784
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.912
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 8.479
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 8.847
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 9.250
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 9.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 10.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 10.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 10.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 11.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 12.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 12.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 14.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 16.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 16.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 17.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 17.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 18.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 18.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 19.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 20.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 20.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 21.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 22.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 22.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 23.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 23.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 24.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 24.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 25.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 26.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 27.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 27.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 28.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 28.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 29.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 29.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 30.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 31.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 31.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 32.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 32.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 33.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 33.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 34.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 34.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 35.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 35.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 36.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 36.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 37.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 37.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 38.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 38.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 39.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 39.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 40.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 40.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 42.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 43.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 43.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 44.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 44.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 44.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 45.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 45.73
Bfactors> 106 vectors, 11136 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 : 0.000203
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= -0.526 for 474 C-alpha atoms.
Bfactors> = 25.439 +/- 136.57
Bfactors> = 90.250 +/- 18.38
Bfactors> Shiftng-fct= 64.811
Bfactors> Scaling-fct= 0.135
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403061118461889856 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=0
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=100
2403061118461889856.eigenfacs
2403061118461889856.atom
making animated gifs
11 models are in 2403061118461889856.7.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 2403061118461889856.7.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 2403061118461889856.7.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 2403061118461889856 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=0
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=100
2403061118461889856.eigenfacs
2403061118461889856.atom
making animated gifs
11 models are in 2403061118461889856.8.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 2403061118461889856.8.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 2403061118461889856.8.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 2403061118461889856 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=0
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=100
2403061118461889856.eigenfacs
2403061118461889856.atom
making animated gifs
11 models are in 2403061118461889856.9.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 2403061118461889856.9.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 2403061118461889856.9.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 2403061118461889856 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=0
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=100
2403061118461889856.eigenfacs
2403061118461889856.atom
making animated gifs
11 models are in 2403061118461889856.10.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 2403061118461889856.10.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 2403061118461889856.10.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 2403061118461889856 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=-20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=0
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=20
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=40
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=60
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=80
2403061118461889856.eigenfacs
2403061118461889856.atom
calculating perturbed structure for DQ=100
2403061118461889856.eigenfacs
2403061118461889856.atom
making animated gifs
11 models are in 2403061118461889856.11.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 2403061118461889856.11.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 2403061118461889856.11.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
2403061118461889856.10.pdb
2403061118461889856.11.pdb
2403061118461889856.7.pdb
2403061118461889856.8.pdb
2403061118461889856.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m17.126s
user 0m17.061s
sys 0m0.056s
../../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: 2403061118461889856.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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