*** ***
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 = 2401060354064039363.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 2401060354064039363.atom to be opened.
Openam> File opened: 2401060354064039363.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 = 659
First residue number = 1
Last residue number = 659
Number of atoms found = 5182
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -1.815258 +/- 20.734434 From: -60.438000 To: 47.188000
= -0.002289 +/- 12.951750 From: -31.547000 To: 28.969000
= 4.589097 +/- 20.176674 From: -30.922000 To: 81.114000
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 1.5217 % Filled.
Pdbmat> 1838935 non-zero elements.
Pdbmat> 201144 atom-atom interactions.
Pdbmat> Number per atom= 77.63 +/- 24.92
Maximum number = 130
Minimum number = 9
Pdbmat> Matrix trace = 4.022880E+06
Pdbmat> Larger element = 500.195
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
659 non-zero elements, NRBL set to 4
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401060354064039363.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401060354064039363.atom to be opened.
Openam> file on opening on unit 11:
2401060354064039363.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5182 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 659 residues.
Blocpdb> 33 atoms in block 1
Block first atom: 1
Blocpdb> 27 atoms in block 2
Block first atom: 34
Blocpdb> 29 atoms in block 3
Block first atom: 61
Blocpdb> 26 atoms in block 4
Block first atom: 90
Blocpdb> 32 atoms in block 5
Block first atom: 116
Blocpdb> 29 atoms in block 6
Block first atom: 148
Blocpdb> 24 atoms in block 7
Block first atom: 177
Blocpdb> 36 atoms in block 8
Block first atom: 201
Blocpdb> 30 atoms in block 9
Block first atom: 237
Blocpdb> 32 atoms in block 10
Block first atom: 267
Blocpdb> 24 atoms in block 11
Block first atom: 299
Blocpdb> 36 atoms in block 12
Block first atom: 323
Blocpdb> 27 atoms in block 13
Block first atom: 359
Blocpdb> 28 atoms in block 14
Block first atom: 386
Blocpdb> 28 atoms in block 15
Block first atom: 414
Blocpdb> 29 atoms in block 16
Block first atom: 442
Blocpdb> 34 atoms in block 17
Block first atom: 471
Blocpdb> 29 atoms in block 18
Block first atom: 505
Blocpdb> 29 atoms in block 19
Block first atom: 534
Blocpdb> 24 atoms in block 20
Block first atom: 563
Blocpdb> 33 atoms in block 21
Block first atom: 587
Blocpdb> 35 atoms in block 22
Block first atom: 620
Blocpdb> 31 atoms in block 23
Block first atom: 655
Blocpdb> 36 atoms in block 24
Block first atom: 686
Blocpdb> 30 atoms in block 25
Block first atom: 722
Blocpdb> 31 atoms in block 26
Block first atom: 752
Blocpdb> 37 atoms in block 27
Block first atom: 783
Blocpdb> 37 atoms in block 28
Block first atom: 820
Blocpdb> 30 atoms in block 29
Block first atom: 857
Blocpdb> 28 atoms in block 30
Block first atom: 887
Blocpdb> 30 atoms in block 31
Block first atom: 915
Blocpdb> 39 atoms in block 32
Block first atom: 945
Blocpdb> 36 atoms in block 33
Block first atom: 984
Blocpdb> 36 atoms in block 34
Block first atom: 1020
Blocpdb> 20 atoms in block 35
Block first atom: 1056
Blocpdb> 29 atoms in block 36
Block first atom: 1076
Blocpdb> 39 atoms in block 37
Block first atom: 1105
Blocpdb> 34 atoms in block 38
Block first atom: 1144
Blocpdb> 26 atoms in block 39
Block first atom: 1178
Blocpdb> 36 atoms in block 40
Block first atom: 1204
Blocpdb> 22 atoms in block 41
Block first atom: 1240
Blocpdb> 34 atoms in block 42
Block first atom: 1262
Blocpdb> 25 atoms in block 43
Block first atom: 1296
Blocpdb> 34 atoms in block 44
Block first atom: 1321
Blocpdb> 28 atoms in block 45
Block first atom: 1355
Blocpdb> 30 atoms in block 46
Block first atom: 1383
Blocpdb> 29 atoms in block 47
Block first atom: 1413
Blocpdb> 32 atoms in block 48
Block first atom: 1442
Blocpdb> 33 atoms in block 49
Block first atom: 1474
Blocpdb> 35 atoms in block 50
Block first atom: 1507
Blocpdb> 30 atoms in block 51
Block first atom: 1542
Blocpdb> 36 atoms in block 52
Block first atom: 1572
Blocpdb> 37 atoms in block 53
Block first atom: 1608
Blocpdb> 35 atoms in block 54
Block first atom: 1645
Blocpdb> 32 atoms in block 55
Block first atom: 1680
Blocpdb> 38 atoms in block 56
Block first atom: 1712
Blocpdb> 30 atoms in block 57
Block first atom: 1750
Blocpdb> 24 atoms in block 58
Block first atom: 1780
Blocpdb> 35 atoms in block 59
Block first atom: 1804
Blocpdb> 33 atoms in block 60
Block first atom: 1839
Blocpdb> 28 atoms in block 61
Block first atom: 1872
Blocpdb> 49 atoms in block 62
Block first atom: 1900
Blocpdb> 31 atoms in block 63
Block first atom: 1949
Blocpdb> 28 atoms in block 64
Block first atom: 1980
Blocpdb> 36 atoms in block 65
Block first atom: 2008
Blocpdb> 21 atoms in block 66
Block first atom: 2044
Blocpdb> 33 atoms in block 67
Block first atom: 2065
Blocpdb> 33 atoms in block 68
Block first atom: 2098
Blocpdb> 39 atoms in block 69
Block first atom: 2131
Blocpdb> 25 atoms in block 70
Block first atom: 2170
Blocpdb> 32 atoms in block 71
Block first atom: 2195
Blocpdb> 29 atoms in block 72
Block first atom: 2227
Blocpdb> 26 atoms in block 73
Block first atom: 2256
Blocpdb> 34 atoms in block 74
Block first atom: 2282
Blocpdb> 31 atoms in block 75
Block first atom: 2316
Blocpdb> 32 atoms in block 76
Block first atom: 2347
Blocpdb> 30 atoms in block 77
Block first atom: 2379
Blocpdb> 37 atoms in block 78
Block first atom: 2409
Blocpdb> 33 atoms in block 79
Block first atom: 2446
Blocpdb> 29 atoms in block 80
Block first atom: 2479
Blocpdb> 30 atoms in block 81
Block first atom: 2508
Blocpdb> 27 atoms in block 82
Block first atom: 2538
Blocpdb> 31 atoms in block 83
Block first atom: 2565
Blocpdb> 35 atoms in block 84
Block first atom: 2596
Blocpdb> 33 atoms in block 85
Block first atom: 2631
Blocpdb> 21 atoms in block 86
Block first atom: 2664
Blocpdb> 30 atoms in block 87
Block first atom: 2685
Blocpdb> 27 atoms in block 88
Block first atom: 2715
Blocpdb> 22 atoms in block 89
Block first atom: 2742
Blocpdb> 26 atoms in block 90
Block first atom: 2764
Blocpdb> 31 atoms in block 91
Block first atom: 2790
Blocpdb> 30 atoms in block 92
Block first atom: 2821
Blocpdb> 28 atoms in block 93
Block first atom: 2851
Blocpdb> 32 atoms in block 94
Block first atom: 2879
Blocpdb> 28 atoms in block 95
Block first atom: 2911
Blocpdb> 31 atoms in block 96
Block first atom: 2939
Blocpdb> 34 atoms in block 97
Block first atom: 2970
Blocpdb> 32 atoms in block 98
Block first atom: 3004
Blocpdb> 32 atoms in block 99
Block first atom: 3036
Blocpdb> 34 atoms in block 100
Block first atom: 3068
Blocpdb> 29 atoms in block 101
Block first atom: 3102
Blocpdb> 33 atoms in block 102
Block first atom: 3131
Blocpdb> 33 atoms in block 103
Block first atom: 3164
Blocpdb> 33 atoms in block 104
Block first atom: 3197
Blocpdb> 33 atoms in block 105
Block first atom: 3230
Blocpdb> 29 atoms in block 106
Block first atom: 3263
Blocpdb> 27 atoms in block 107
Block first atom: 3292
Blocpdb> 30 atoms in block 108
Block first atom: 3319
Blocpdb> 36 atoms in block 109
Block first atom: 3349
Blocpdb> 28 atoms in block 110
Block first atom: 3385
Blocpdb> 33 atoms in block 111
Block first atom: 3413
Blocpdb> 32 atoms in block 112
Block first atom: 3446
Blocpdb> 34 atoms in block 113
Block first atom: 3478
Blocpdb> 31 atoms in block 114
Block first atom: 3512
Blocpdb> 35 atoms in block 115
Block first atom: 3543
Blocpdb> 29 atoms in block 116
Block first atom: 3578
Blocpdb> 32 atoms in block 117
Block first atom: 3607
Blocpdb> 37 atoms in block 118
Block first atom: 3639
Blocpdb> 24 atoms in block 119
Block first atom: 3676
Blocpdb> 32 atoms in block 120
Block first atom: 3700
Blocpdb> 36 atoms in block 121
Block first atom: 3732
Blocpdb> 29 atoms in block 122
Block first atom: 3768
Blocpdb> 32 atoms in block 123
Block first atom: 3797
Blocpdb> 31 atoms in block 124
Block first atom: 3829
Blocpdb> 39 atoms in block 125
Block first atom: 3860
Blocpdb> 38 atoms in block 126
Block first atom: 3899
Blocpdb> 29 atoms in block 127
Block first atom: 3937
Blocpdb> 24 atoms in block 128
Block first atom: 3966
Blocpdb> 25 atoms in block 129
Block first atom: 3990
Blocpdb> 29 atoms in block 130
Block first atom: 4015
Blocpdb> 30 atoms in block 131
Block first atom: 4044
Blocpdb> 35 atoms in block 132
Block first atom: 4074
Blocpdb> 39 atoms in block 133
Block first atom: 4109
Blocpdb> 35 atoms in block 134
Block first atom: 4148
Blocpdb> 31 atoms in block 135
Block first atom: 4183
Blocpdb> 30 atoms in block 136
Block first atom: 4214
Blocpdb> 34 atoms in block 137
Block first atom: 4244
Blocpdb> 29 atoms in block 138
Block first atom: 4278
Blocpdb> 36 atoms in block 139
Block first atom: 4307
Blocpdb> 28 atoms in block 140
Block first atom: 4343
Blocpdb> 38 atoms in block 141
Block first atom: 4371
Blocpdb> 34 atoms in block 142
Block first atom: 4409
Blocpdb> 40 atoms in block 143
Block first atom: 4443
Blocpdb> 30 atoms in block 144
Block first atom: 4483
Blocpdb> 32 atoms in block 145
Block first atom: 4513
Blocpdb> 29 atoms in block 146
Block first atom: 4545
Blocpdb> 32 atoms in block 147
Block first atom: 4574
Blocpdb> 32 atoms in block 148
Block first atom: 4606
Blocpdb> 35 atoms in block 149
Block first atom: 4638
Blocpdb> 31 atoms in block 150
Block first atom: 4673
Blocpdb> 30 atoms in block 151
Block first atom: 4704
Blocpdb> 28 atoms in block 152
Block first atom: 4734
Blocpdb> 37 atoms in block 153
Block first atom: 4762
Blocpdb> 39 atoms in block 154
Block first atom: 4799
Blocpdb> 28 atoms in block 155
Block first atom: 4838
Blocpdb> 31 atoms in block 156
Block first atom: 4866
Blocpdb> 33 atoms in block 157
Block first atom: 4897
Blocpdb> 33 atoms in block 158
Block first atom: 4930
Blocpdb> 31 atoms in block 159
Block first atom: 4963
Blocpdb> 34 atoms in block 160
Block first atom: 4994
Blocpdb> 36 atoms in block 161
Block first atom: 5028
Blocpdb> 26 atoms in block 162
Block first atom: 5064
Blocpdb> 30 atoms in block 163
Block first atom: 5090
Blocpdb> 31 atoms in block 164
Block first atom: 5120
Blocpdb> 32 atoms in block 165
Block first atom: 5150
Blocpdb> 165 blocks.
Blocpdb> At most, 49 atoms in each of them.
Blocpdb> At least, 20 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> 1839100 matrix lines read.
Prepmat> Matrix order = 15546
Prepmat> Matrix trace = 4022880.0000
Prepmat> Last element read: 15546 15546 34.7761
Prepmat> 13696 lines saved.
Prepmat> 12316 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: 5182
RTB> Total mass = 5182.0000
RTB> Number of atoms found in matrix: 5182
RTB> Number of blocks = 165
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 180615.8745
RTB> 47169 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 = 990
Diagstd> Nb of non-zero elements: 47169
Diagstd> Projected matrix trace = 180615.8745
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 990 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 180615.8745
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 0.0002045 0.0013654 0.0038719 0.0133616
0.0271583 0.0741302 0.0970125 0.1234706 0.1600915
0.2370661 0.3488017 0.4907494 0.5637786 0.6323422
0.6539666 0.7070416 0.8132906 0.8509709 0.9812598
1.0988675 1.2924748 1.3983165 1.5610088 1.6825075
1.8997388 2.4552650 2.6006085 2.7554828 2.8124994
2.8383514 3.0200862 3.3203128 3.4049749 3.6525634
3.7908777 3.9205650 4.1705694 4.4420562 4.5954531
4.8196705 5.0178749 5.4441063 5.8626256 6.0658711
6.1743350 6.3882266 6.6838198 7.0028107 7.1390834
7.7947536 7.9306161 8.2404312 8.8044611 9.1457449
9.3490476 9.6236063 9.7186760 10.3676854 10.7035516
11.0901924 11.1882023 11.6168855 11.9536485 12.0372876
12.3085763 12.6456599 12.9182809 13.1907048 13.9897238
14.4074504 14.7457313 14.8405573 14.9312710 15.2125761
15.8843034 16.2156151 16.4879878 16.7641183 17.3641872
17.9218620 18.3615341 18.6064707 19.0706255 19.8599539
20.0494950 20.1216496 20.4757714 21.6778507 21.9288970
22.5416458 23.2684249 23.2969461 23.7238263 24.1880910
24.5976911 24.6027742 24.7802218 25.3858022 25.6512047
26.2081632
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034307 0.0034324 0.0034326 0.0034333 0.0034336
0.0034348 1.5528501 4.0125918 6.7570768 12.5523314
17.8956221 29.5660176 33.8227682 38.1572505 43.4489597
52.8725193 64.1334500 76.0720600 81.5360355 86.3517967
87.8158804 91.3098763 97.9305388 100.1734529 107.5690360
113.8329400 123.4543274 128.4097541 135.6744143 140.8554905
149.6725752 170.1549023 175.1187979 180.2578266 182.1132294
182.9482916 188.7143620 197.8721979 200.3790164 207.5363429
211.4292964 215.0154216 221.7649751 228.8691742 232.7873881
238.3987397 243.2513141 253.3719772 262.9307387 267.4495488
269.8300877 274.4640316 280.7421658 287.3634139 290.1459468
303.1771564 305.8079298 311.7240053 322.2156792 328.4012652
332.0312548 336.8714491 338.5313033 349.6521362 355.2705711
361.6303068 363.2247519 370.1179390 375.4443041 376.7554982
380.9773799 386.1588821 390.2991836 394.3930751 406.1625247
412.1818338 416.9926864 418.3313236 419.6079134 423.5421742
432.7921422 437.2823957 440.9396054 444.6165647 452.5040912
459.7130627 465.3179024 468.4112124 474.2176889 483.9320643
486.2358761 487.1100284 491.3776695 505.5957220 508.5148898
515.5705369 523.8160162 524.1369502 528.9171485 534.0674098
538.5703643 538.6260093 540.5649401 547.1302495 549.9828703
555.9216311
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5182
Rtb_to_modes> Number of blocs = 165
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: 9.9813E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9909E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9920E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9959E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.0449E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.3654E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.8719E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.3362E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.7158E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.4130E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.7013E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1235
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.1601
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.2371
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.3488
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4907
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.5638
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.6323
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.6540
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.7070
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.8133
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.8510
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.9813
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.099
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.292
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.398
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.561
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.683
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.900
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.455
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.601
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.755
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.812
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.838
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3.020
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.320
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3.405
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3.653
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 3.791
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.921
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.171
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 4.442
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 4.595
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 4.820
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.018
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 5.444
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 5.863
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 6.066
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 6.174
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 6.388
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 6.684
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 7.003
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 7.139
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 7.795
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 7.931
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 8.240
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 8.804
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 9.146
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 9.349
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 9.624
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 9.719
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 10.37
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 10.70
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 11.09
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 11.19
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 11.62
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 11.95
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 12.04
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 12.31
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 12.65
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 12.92
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 13.19
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 13.99
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 14.41
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 14.75
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 14.84
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 14.93
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 15.21
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 15.88
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 16.22
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 16.49
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 16.76
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 17.36
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 17.92
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 18.36
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 18.61
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 19.07
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 19.86
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 20.05
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 20.12
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 20.48
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 21.68
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 21.93
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 22.54
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 23.27
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 23.30
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 23.72
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 24.19
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 24.60
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 24.60
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 24.78
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 25.39
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 25.65
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 26.21
Rtb_to_modes> 106 vectors, with 990 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 1.00002 1.00001 1.00001
1.00000 1.00002 1.00004 0.99998 1.00001
1.00006 1.00003 1.00002 1.00007 1.00000
1.00001 1.00002 0.99998 1.00000 1.00000
0.99999 1.00000 0.99997 1.00003 0.99998
0.99996 0.99998 1.00002 0.99999 0.99997
1.00001 1.00002 1.00002 1.00002 1.00002
0.99998 1.00000 0.99998 1.00002 0.99998
1.00000 0.99999 0.99996 0.99998 1.00000
0.99998 0.99998 0.99998 1.00000 1.00002
1.00000 1.00002 1.00000 1.00001 1.00002
0.99999 1.00002 0.99998 1.00002 1.00000
1.00001 0.99999 1.00002 1.00000 1.00000
1.00001 0.99996 1.00003 1.00000 0.99999
1.00001 0.99999 0.99999 0.99999 1.00001
1.00001 0.99997 1.00003 0.99997 0.99996
1.00001 0.99999 1.00002 0.99999 1.00000
1.00000 0.99999 0.99999 1.00003 0.99998
1.00001 1.00000 1.00002 1.00000 1.00000
1.00001 1.00001 1.00000 0.99997 1.00000
0.99999 0.99998 0.99998 0.99997 1.00001
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 93276 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99999 1.00002 1.00001 1.00001
1.00000 1.00002 1.00004 0.99998 1.00001
1.00006 1.00003 1.00002 1.00007 1.00000
1.00001 1.00002 0.99998 1.00000 1.00000
0.99999 1.00000 0.99997 1.00003 0.99998
0.99996 0.99998 1.00002 0.99999 0.99997
1.00001 1.00002 1.00002 1.00002 1.00002
0.99998 1.00000 0.99998 1.00002 0.99998
1.00000 0.99999 0.99996 0.99998 1.00000
0.99998 0.99998 0.99998 1.00000 1.00002
1.00000 1.00002 1.00000 1.00001 1.00002
0.99999 1.00002 0.99998 1.00002 1.00000
1.00001 0.99999 1.00002 1.00000 1.00000
1.00001 0.99996 1.00003 1.00000 0.99999
1.00001 0.99999 0.99999 0.99999 1.00001
1.00001 0.99997 1.00003 0.99997 0.99996
1.00001 0.99999 1.00002 0.99999 1.00000
1.00000 0.99999 0.99999 1.00003 0.99998
1.00001 1.00000 1.00002 1.00000 1.00000
1.00001 1.00001 1.00000 0.99997 1.00000
0.99999 0.99998 0.99998 0.99997 1.00001
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000-0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6:-0.000-0.000 0.000 0.000 0.000
Vector 7:-0.000-0.000-0.000-0.000-0.000-0.000
Vector 8:-0.000 0.000 0.000 0.000 0.000 0.000 0.000
Vector 9: 0.000 0.000 0.000-0.000 0.000 0.000 0.000 0.000
Vector 10:-0.000 0.000 0.000-0.000 0.000-0.000 0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2401060354064039363.eigenfacs
Openam> file on opening on unit 10:
2401060354064039363.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401060354064039363.atom
Openam> file on opening on unit 11:
2401060354064039363.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 = 659
First residue number = 1
Last residue number = 659
Number of atoms found = 5182
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9813E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9909E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9920E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9959E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.0449E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3654E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.8719E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3362E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.7158E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.4130E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.7013E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5638
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9813
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.398
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.561
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.683
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.900
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.601
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.755
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.838
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3.020
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3.405
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3.653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 3.791
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.921
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.171
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 4.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 4.595
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 4.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.018
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 5.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 5.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 6.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 6.174
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 6.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 6.684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 7.003
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 7.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 7.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 7.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 8.240
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 8.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 9.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 9.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 9.624
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 9.719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 10.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 10.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 11.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 11.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 12.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 12.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 12.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 13.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 13.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 14.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 14.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 14.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 15.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 15.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 16.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 16.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 16.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 17.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 18.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 19.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 19.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 20.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 20.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 20.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 21.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 21.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 22.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 23.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 23.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 23.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 24.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 24.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 24.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 24.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 25.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 25.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 26.21
Bfactors> 106 vectors, 15546 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 : 0.000204
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= -0.486 for 659 C-alpha atoms.
Bfactors> = 19.525 +/- 89.97
Bfactors> = 80.816 +/- 22.40
Bfactors> Shiftng-fct= 61.292
Bfactors> Scaling-fct= 0.249
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401060354064039363 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=0
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=100
2401060354064039363.eigenfacs
2401060354064039363.atom
making animated gifs
11 models are in 2401060354064039363.7.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 2401060354064039363.7.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 2401060354064039363.7.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 2401060354064039363 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=0
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=100
2401060354064039363.eigenfacs
2401060354064039363.atom
making animated gifs
11 models are in 2401060354064039363.8.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 2401060354064039363.8.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 2401060354064039363.8.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 2401060354064039363 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=0
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=100
2401060354064039363.eigenfacs
2401060354064039363.atom
making animated gifs
11 models are in 2401060354064039363.9.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 2401060354064039363.9.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 2401060354064039363.9.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 2401060354064039363 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=0
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=100
2401060354064039363.eigenfacs
2401060354064039363.atom
making animated gifs
11 models are in 2401060354064039363.10.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 2401060354064039363.10.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 2401060354064039363.10.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 2401060354064039363 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=-20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=0
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=20
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=40
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=60
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=80
2401060354064039363.eigenfacs
2401060354064039363.atom
calculating perturbed structure for DQ=100
2401060354064039363.eigenfacs
2401060354064039363.atom
making animated gifs
11 models are in 2401060354064039363.11.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 2401060354064039363.11.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 2401060354064039363.11.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
2401060354064039363.10.pdb
2401060354064039363.11.pdb
2401060354064039363.7.pdb
2401060354064039363.8.pdb
2401060354064039363.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.629s
user 0m22.537s
sys 0m0.092s
../../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: 2401060354064039363.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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