*** 01-JUN-22 ***
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 = 240323163716253308.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 240323163716253308.atom to be opened.
Openam> File opened: 240323163716253308.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 = 742
First residue number = 1
Last residue number = 742
Number of atoms found = 6003
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= 3.080781 +/- 21.046670 From: -42.520000 To: 71.380000
= -0.756253 +/- 10.371090 From: -30.278000 To: 27.784000
= -0.224421 +/- 24.851542 From: -80.550000 To: 47.070000
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 1.3902 % Filled.
Pdbmat> 2254460 non-zero elements.
Pdbmat> 246533 atom-atom interactions.
Pdbmat> Number per atom= 82.14 +/- 23.92
Maximum number = 134
Minimum number = 8
Pdbmat> Matrix trace = 4.930660E+06
Pdbmat> Larger element = 502.997
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
742 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 = 240323163716253308.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 240323163716253308.atom to be opened.
Openam> file on opening on unit 11:
240323163716253308.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 6003 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> 742 residues.
Blocpdb> 36 atoms in block 1
Block first atom: 1
Blocpdb> 27 atoms in block 2
Block first atom: 37
Blocpdb> 35 atoms in block 3
Block first atom: 64
Blocpdb> 38 atoms in block 4
Block first atom: 99
Blocpdb> 28 atoms in block 5
Block first atom: 137
Blocpdb> 33 atoms in block 6
Block first atom: 165
Blocpdb> 35 atoms in block 7
Block first atom: 198
Blocpdb> 33 atoms in block 8
Block first atom: 233
Blocpdb> 29 atoms in block 9
Block first atom: 266
Blocpdb> 32 atoms in block 10
Block first atom: 295
Blocpdb> 42 atoms in block 11
Block first atom: 327
Blocpdb> 23 atoms in block 12
Block first atom: 369
Blocpdb> 34 atoms in block 13
Block first atom: 392
Blocpdb> 38 atoms in block 14
Block first atom: 426
Blocpdb> 31 atoms in block 15
Block first atom: 464
Blocpdb> 36 atoms in block 16
Block first atom: 495
Blocpdb> 30 atoms in block 17
Block first atom: 531
Blocpdb> 36 atoms in block 18
Block first atom: 561
Blocpdb> 30 atoms in block 19
Block first atom: 597
Blocpdb> 37 atoms in block 20
Block first atom: 627
Blocpdb> 33 atoms in block 21
Block first atom: 664
Blocpdb> 30 atoms in block 22
Block first atom: 697
Blocpdb> 31 atoms in block 23
Block first atom: 727
Blocpdb> 32 atoms in block 24
Block first atom: 758
Blocpdb> 28 atoms in block 25
Block first atom: 790
Blocpdb> 38 atoms in block 26
Block first atom: 818
Blocpdb> 29 atoms in block 27
Block first atom: 856
Blocpdb> 29 atoms in block 28
Block first atom: 885
Blocpdb> 34 atoms in block 29
Block first atom: 914
Blocpdb> 30 atoms in block 30
Block first atom: 948
Blocpdb> 30 atoms in block 31
Block first atom: 978
Blocpdb> 37 atoms in block 32
Block first atom: 1008
Blocpdb> 28 atoms in block 33
Block first atom: 1045
Blocpdb> 27 atoms in block 34
Block first atom: 1073
Blocpdb> 31 atoms in block 35
Block first atom: 1100
Blocpdb> 38 atoms in block 36
Block first atom: 1131
Blocpdb> 26 atoms in block 37
Block first atom: 1169
Blocpdb> 37 atoms in block 38
Block first atom: 1195
Blocpdb> 35 atoms in block 39
Block first atom: 1232
Blocpdb> 32 atoms in block 40
Block first atom: 1267
Blocpdb> 34 atoms in block 41
Block first atom: 1299
Blocpdb> 30 atoms in block 42
Block first atom: 1333
Blocpdb> 34 atoms in block 43
Block first atom: 1363
Blocpdb> 35 atoms in block 44
Block first atom: 1397
Blocpdb> 35 atoms in block 45
Block first atom: 1432
Blocpdb> 32 atoms in block 46
Block first atom: 1467
Blocpdb> 36 atoms in block 47
Block first atom: 1499
Blocpdb> 31 atoms in block 48
Block first atom: 1535
Blocpdb> 30 atoms in block 49
Block first atom: 1566
Blocpdb> 41 atoms in block 50
Block first atom: 1596
Blocpdb> 32 atoms in block 51
Block first atom: 1637
Blocpdb> 34 atoms in block 52
Block first atom: 1669
Blocpdb> 28 atoms in block 53
Block first atom: 1703
Blocpdb> 24 atoms in block 54
Block first atom: 1731
Blocpdb> 35 atoms in block 55
Block first atom: 1755
Blocpdb> 34 atoms in block 56
Block first atom: 1790
Blocpdb> 40 atoms in block 57
Block first atom: 1824
Blocpdb> 27 atoms in block 58
Block first atom: 1864
Blocpdb> 17 atoms in block 59
Block first atom: 1891
Blocpdb> 33 atoms in block 60
Block first atom: 1908
Blocpdb> 34 atoms in block 61
Block first atom: 1941
Blocpdb> 26 atoms in block 62
Block first atom: 1975
Blocpdb> 30 atoms in block 63
Block first atom: 2001
Blocpdb> 38 atoms in block 64
Block first atom: 2031
Blocpdb> 37 atoms in block 65
Block first atom: 2069
Blocpdb> 29 atoms in block 66
Block first atom: 2106
Blocpdb> 32 atoms in block 67
Block first atom: 2135
Blocpdb> 30 atoms in block 68
Block first atom: 2167
Blocpdb> 31 atoms in block 69
Block first atom: 2197
Blocpdb> 32 atoms in block 70
Block first atom: 2228
Blocpdb> 27 atoms in block 71
Block first atom: 2260
Blocpdb> 30 atoms in block 72
Block first atom: 2287
Blocpdb> 31 atoms in block 73
Block first atom: 2317
Blocpdb> 39 atoms in block 74
Block first atom: 2348
Blocpdb> 34 atoms in block 75
Block first atom: 2387
Blocpdb> 31 atoms in block 76
Block first atom: 2421
Blocpdb> 33 atoms in block 77
Block first atom: 2452
Blocpdb> 34 atoms in block 78
Block first atom: 2485
Blocpdb> 36 atoms in block 79
Block first atom: 2519
Blocpdb> 35 atoms in block 80
Block first atom: 2555
Blocpdb> 33 atoms in block 81
Block first atom: 2590
Blocpdb> 34 atoms in block 82
Block first atom: 2623
Blocpdb> 37 atoms in block 83
Block first atom: 2657
Blocpdb> 32 atoms in block 84
Block first atom: 2694
Blocpdb> 37 atoms in block 85
Block first atom: 2726
Blocpdb> 32 atoms in block 86
Block first atom: 2763
Blocpdb> 29 atoms in block 87
Block first atom: 2795
Blocpdb> 27 atoms in block 88
Block first atom: 2824
Blocpdb> 33 atoms in block 89
Block first atom: 2851
Blocpdb> 34 atoms in block 90
Block first atom: 2884
Blocpdb> 36 atoms in block 91
Block first atom: 2918
Blocpdb> 28 atoms in block 92
Block first atom: 2954
Blocpdb> 29 atoms in block 93
Block first atom: 2982
Blocpdb> 30 atoms in block 94
Block first atom: 3011
Blocpdb> 31 atoms in block 95
Block first atom: 3041
Blocpdb> 32 atoms in block 96
Block first atom: 3072
Blocpdb> 39 atoms in block 97
Block first atom: 3104
Blocpdb> 33 atoms in block 98
Block first atom: 3143
Blocpdb> 33 atoms in block 99
Block first atom: 3176
Blocpdb> 34 atoms in block 100
Block first atom: 3209
Blocpdb> 40 atoms in block 101
Block first atom: 3243
Blocpdb> 35 atoms in block 102
Block first atom: 3283
Blocpdb> 35 atoms in block 103
Block first atom: 3318
Blocpdb> 32 atoms in block 104
Block first atom: 3353
Blocpdb> 32 atoms in block 105
Block first atom: 3385
Blocpdb> 25 atoms in block 106
Block first atom: 3417
Blocpdb> 33 atoms in block 107
Block first atom: 3442
Blocpdb> 29 atoms in block 108
Block first atom: 3475
Blocpdb> 31 atoms in block 109
Block first atom: 3504
Blocpdb> 29 atoms in block 110
Block first atom: 3535
Blocpdb> 30 atoms in block 111
Block first atom: 3564
Blocpdb> 31 atoms in block 112
Block first atom: 3594
Blocpdb> 34 atoms in block 113
Block first atom: 3625
Blocpdb> 34 atoms in block 114
Block first atom: 3659
Blocpdb> 31 atoms in block 115
Block first atom: 3693
Blocpdb> 26 atoms in block 116
Block first atom: 3724
Blocpdb> 29 atoms in block 117
Block first atom: 3750
Blocpdb> 36 atoms in block 118
Block first atom: 3779
Blocpdb> 32 atoms in block 119
Block first atom: 3815
Blocpdb> 31 atoms in block 120
Block first atom: 3847
Blocpdb> 26 atoms in block 121
Block first atom: 3878
Blocpdb> 34 atoms in block 122
Block first atom: 3904
Blocpdb> 28 atoms in block 123
Block first atom: 3938
Blocpdb> 33 atoms in block 124
Block first atom: 3966
Blocpdb> 33 atoms in block 125
Block first atom: 3999
Blocpdb> 28 atoms in block 126
Block first atom: 4032
Blocpdb> 33 atoms in block 127
Block first atom: 4060
Blocpdb> 26 atoms in block 128
Block first atom: 4093
Blocpdb> 34 atoms in block 129
Block first atom: 4119
Blocpdb> 27 atoms in block 130
Block first atom: 4153
Blocpdb> 28 atoms in block 131
Block first atom: 4180
Blocpdb> 36 atoms in block 132
Block first atom: 4208
Blocpdb> 36 atoms in block 133
Block first atom: 4244
Blocpdb> 36 atoms in block 134
Block first atom: 4280
Blocpdb> 35 atoms in block 135
Block first atom: 4316
Blocpdb> 29 atoms in block 136
Block first atom: 4351
Blocpdb> 31 atoms in block 137
Block first atom: 4380
Blocpdb> 33 atoms in block 138
Block first atom: 4411
Blocpdb> 29 atoms in block 139
Block first atom: 4444
Blocpdb> 32 atoms in block 140
Block first atom: 4473
Blocpdb> 32 atoms in block 141
Block first atom: 4505
Blocpdb> 28 atoms in block 142
Block first atom: 4537
Blocpdb> 34 atoms in block 143
Block first atom: 4565
Blocpdb> 31 atoms in block 144
Block first atom: 4599
Blocpdb> 35 atoms in block 145
Block first atom: 4630
Blocpdb> 34 atoms in block 146
Block first atom: 4665
Blocpdb> 28 atoms in block 147
Block first atom: 4699
Blocpdb> 33 atoms in block 148
Block first atom: 4727
Blocpdb> 35 atoms in block 149
Block first atom: 4760
Blocpdb> 34 atoms in block 150
Block first atom: 4795
Blocpdb> 28 atoms in block 151
Block first atom: 4829
Blocpdb> 36 atoms in block 152
Block first atom: 4857
Blocpdb> 31 atoms in block 153
Block first atom: 4893
Blocpdb> 36 atoms in block 154
Block first atom: 4924
Blocpdb> 30 atoms in block 155
Block first atom: 4960
Blocpdb> 29 atoms in block 156
Block first atom: 4990
Blocpdb> 31 atoms in block 157
Block first atom: 5019
Blocpdb> 31 atoms in block 158
Block first atom: 5050
Blocpdb> 34 atoms in block 159
Block first atom: 5081
Blocpdb> 36 atoms in block 160
Block first atom: 5115
Blocpdb> 39 atoms in block 161
Block first atom: 5151
Blocpdb> 36 atoms in block 162
Block first atom: 5190
Blocpdb> 30 atoms in block 163
Block first atom: 5226
Blocpdb> 28 atoms in block 164
Block first atom: 5256
Blocpdb> 31 atoms in block 165
Block first atom: 5284
Blocpdb> 33 atoms in block 166
Block first atom: 5315
Blocpdb> 31 atoms in block 167
Block first atom: 5348
Blocpdb> 35 atoms in block 168
Block first atom: 5379
Blocpdb> 36 atoms in block 169
Block first atom: 5414
Blocpdb> 33 atoms in block 170
Block first atom: 5450
Blocpdb> 33 atoms in block 171
Block first atom: 5483
Blocpdb> 36 atoms in block 172
Block first atom: 5516
Blocpdb> 34 atoms in block 173
Block first atom: 5552
Blocpdb> 32 atoms in block 174
Block first atom: 5586
Blocpdb> 29 atoms in block 175
Block first atom: 5618
Blocpdb> 34 atoms in block 176
Block first atom: 5647
Blocpdb> 32 atoms in block 177
Block first atom: 5681
Blocpdb> 34 atoms in block 178
Block first atom: 5713
Blocpdb> 33 atoms in block 179
Block first atom: 5747
Blocpdb> 35 atoms in block 180
Block first atom: 5780
Blocpdb> 30 atoms in block 181
Block first atom: 5815
Blocpdb> 34 atoms in block 182
Block first atom: 5845
Blocpdb> 35 atoms in block 183
Block first atom: 5879
Blocpdb> 38 atoms in block 184
Block first atom: 5914
Blocpdb> 34 atoms in block 185
Block first atom: 5952
Blocpdb> 18 atoms in block 186
Block first atom: 5985
Blocpdb> 186 blocks.
Blocpdb> At most, 42 atoms in each of them.
Blocpdb> At least, 17 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> 2254646 matrix lines read.
Prepmat> Matrix order = 18009
Prepmat> Matrix trace = 4930660.0000
Prepmat> Last element read: 18009 18009 77.2015
Prepmat> 17392 lines saved.
Prepmat> 15677 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: 6003
RTB> Total mass = 6003.0000
RTB> Number of atoms found in matrix: 6003
RTB> Number of blocks = 186
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 224099.8219
RTB> 58914 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 = 1116
Diagstd> Nb of non-zero elements: 58914
Diagstd> Projected matrix trace = 224099.8219
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1116 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 224099.8219
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 0.0014795 0.0023574 0.0078246 0.0162914
0.0442799 0.1057848 0.1640297 0.1869060 0.2620892
0.4144547 0.5007999 0.6713231 0.7357080 0.9455676
1.0792444 1.3308069 1.5268830 1.8783545 1.8917225
2.5075125 2.8044351 3.1387277 3.2580615 3.8792275
4.0112116 4.4947552 4.7950231 5.3088765 5.7589471
6.1076717 6.7133959 7.0472256 7.1830214 7.7951328
8.7792664 9.2124893 9.7708855 10.4831762 11.3368233
11.8936103 12.8850099 13.4434669 13.9664331 14.3615877
14.8131634 15.1472388 15.9767440 16.6981191 16.8225474
17.2443681 18.8128636 19.4030978 19.8151574 20.3838207
20.7996565 21.4064247 22.0033759 22.2741072 22.5386573
22.9276664 23.3280068 23.4352807 24.2604493 24.7572638
25.1594694 25.4497479 25.6687788 26.3594912 26.5687331
27.0081735 27.7640432 28.6098843 29.6592190 30.3382964
30.3929852 30.6393548 31.1871689 31.7843822 32.3438125
32.5926107 33.2880853 33.4661765 33.7648295 34.5114894
34.8162536 35.5039521 35.9787269 36.5120432 37.2301644
37.5641510 38.1070514 38.2397813 38.8189016 39.1233842
39.6734481 39.8787036 40.3208772 40.4317339 40.9170554
42.1581518
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034306 0.0034334 0.0034335 0.0034337 0.0034345
0.0034353 4.1768498 5.2724177 9.6056599 13.8603526
22.8506625 35.3188833 43.9801313 46.9468937 55.5929604
69.9091174 76.8470833 88.9735820 93.1425257 105.5945656
112.8119703 125.2716515 134.1832061 148.8277994 149.3564536
171.9558024 181.8519554 192.3853954 196.0085050 213.8788820
217.4868812 230.2227837 237.7883829 250.2053502 260.5954480
268.3694796 281.3626271 288.2732646 291.0374397 303.1845306
321.7543246 329.5974005 339.4393933 351.5942161 365.6292813
374.5002673 389.7962524 398.1538523 405.8242862 411.5252694
417.9450516 422.6316492 434.0496577 443.7404886 445.3907164
450.9401689 471.0019808 478.3335210 483.3859726 490.2731115
495.2487193 502.4204968 509.3777134 512.5018451 515.5363591
519.9663124 524.4862381 525.6907801 534.8656408 540.3144745
544.6857569 547.8189137 550.1712396 557.5242886 559.7327310
564.3426690 572.1852208 580.8357391 591.3915781 598.1235131
598.6623685 601.0838893 606.4336013 612.2124649 617.5766760
619.9474169 626.5268508 628.2005743 630.9973870 637.9360298
640.7465833 647.0437252 651.3556375 656.1654342 662.5867663
665.5521167 670.3443500 671.5107662 676.5764883 679.2247265
683.9829153 685.7499678 689.5412730 690.4885217 694.6202921
705.0762107
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 6003
Rtb_to_modes> Number of blocs = 186
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: 9.9807E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9972E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9988E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.4795E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.3574E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 7.8246E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.6291E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.4280E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1058
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1640
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1869
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2621
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4145
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5008
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6713
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.7357
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9456
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.079
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.331
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.527
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.878
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.892
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2.508
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.804
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 3.139
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 3.258
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.879
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 4.011
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 4.495
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 4.795
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 5.309
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 5.759
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 6.108
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 6.713
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 7.047
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 7.183
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 7.795
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 8.779
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 9.212
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 9.771
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 10.48
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 11.34
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.89
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 12.89
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 13.44
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.97
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 14.36
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 14.81
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 15.15
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 15.98
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 16.70
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 16.82
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 17.24
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 18.81
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 19.40
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 19.82
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 20.38
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 20.80
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 21.41
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 22.00
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 22.27
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 22.54
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 22.93
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 23.33
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 23.44
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 24.26
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 24.76
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 25.16
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 25.45
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 25.67
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 26.36
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 26.57
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 27.01
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 27.76
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 28.61
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 29.66
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 30.34
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 30.39
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 30.64
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 31.19
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 31.78
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 32.34
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 32.59
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 33.29
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 33.47
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 33.76
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 34.51
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 34.82
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 35.50
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 35.98
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 36.51
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 37.23
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 37.56
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 38.11
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 38.24
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 38.82
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 39.12
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 39.67
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 39.88
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 40.32
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 40.43
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 40.92
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 42.16
Rtb_to_modes> 106 vectors, with 1116 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99997 1.00000 1.00000 0.99999 1.00000
0.99999 1.00000 1.00001 1.00000 0.99997
1.00000 0.99999 1.00000 1.00001 0.99997
0.99999 1.00000 1.00000 0.99999 1.00002
0.99998 0.99999 1.00005 0.99999 0.99999
0.99999 0.99997 0.99999 1.00000 0.99999
1.00002 1.00000 1.00000 1.00000 1.00003
1.00001 1.00004 1.00001 1.00001 0.99996
0.99997 1.00001 1.00003 0.99999 0.99996
1.00001 1.00000 0.99998 1.00001 1.00001
1.00001 1.00006 1.00000 1.00003 1.00000
1.00000 1.00001 0.99998 1.00000 0.99999
0.99999 0.99999 0.99998 1.00001 0.99999
0.99998 1.00003 1.00000 1.00000 1.00000
0.99999 0.99997 1.00002 1.00002 0.99999
0.99998 1.00000 0.99999 1.00002 1.00000
1.00001 0.99999 1.00001 1.00000 1.00000
1.00000 0.99998 0.99998 1.00003 1.00000
1.00001 0.99998 1.00001 1.00000 0.99999
0.99998 0.99999 1.00002 1.00003 1.00000
1.00000 1.00001 0.99997 0.99999 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 108054 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99997 1.00000 1.00000 0.99999 1.00000
0.99999 1.00000 1.00001 1.00000 0.99997
1.00000 0.99999 1.00000 1.00001 0.99997
0.99999 1.00000 1.00000 0.99999 1.00002
0.99998 0.99999 1.00005 0.99999 0.99999
0.99999 0.99997 0.99999 1.00000 0.99999
1.00002 1.00000 1.00000 1.00000 1.00003
1.00001 1.00004 1.00001 1.00001 0.99996
0.99997 1.00001 1.00003 0.99999 0.99996
1.00001 1.00000 0.99998 1.00001 1.00001
1.00001 1.00006 1.00000 1.00003 1.00000
1.00000 1.00001 0.99998 1.00000 0.99999
0.99999 0.99999 0.99998 1.00001 0.99999
0.99998 1.00003 1.00000 1.00000 1.00000
0.99999 0.99997 1.00002 1.00002 0.99999
0.99998 1.00000 0.99999 1.00002 1.00000
1.00001 0.99999 1.00001 1.00000 1.00000
1.00000 0.99998 0.99998 1.00003 1.00000
1.00001 0.99998 1.00001 1.00000 0.99999
0.99998 0.99999 1.00002 1.00003 1.00000
1.00000 1.00001 0.99997 0.99999 1.00000
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> 240323163716253308.eigenfacs
Openam> file on opening on unit 10:
240323163716253308.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240323163716253308.atom
Openam> file on opening on unit 11:
240323163716253308.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 = 742
First residue number = 1
Last residue number = 742
Number of atoms found = 6003
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9807E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9972E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9988E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4795E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.3574E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.8246E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6291E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.4280E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1869
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4145
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7357
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9456
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.079
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.331
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.527
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2.508
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.804
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 3.139
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 3.258
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.879
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 4.011
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 4.495
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 4.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 5.309
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 5.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 6.108
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 6.713
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 7.047
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 7.183
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 7.795
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 8.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 9.212
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 9.771
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 10.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 12.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 13.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 14.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 14.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 15.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 15.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 16.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 16.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 18.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 19.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 19.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 20.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 20.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 21.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 22.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 22.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 22.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 22.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 23.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 23.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 24.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 24.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 25.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 25.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 25.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 26.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 26.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 27.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 27.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 28.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 29.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 30.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 30.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 30.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 31.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 31.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 32.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 32.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 33.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 33.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 33.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 34.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 34.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 35.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 35.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 36.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 37.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 37.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 38.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 38.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 38.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 39.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 39.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 39.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 40.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 40.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 40.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 42.16
Bfactors> 106 vectors, 18009 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 : 0.001479
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= -0.571 for 742 C-alpha atoms.
Bfactors> = 3.267 +/- 24.07
Bfactors> = 92.764 +/- 12.60
Bfactors> Shiftng-fct= 89.497
Bfactors> Scaling-fct= 0.523
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240323163716253308 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=0
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=100
240323163716253308.eigenfacs
240323163716253308.atom
making animated gifs
11 models are in 240323163716253308.7.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 240323163716253308.7.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 240323163716253308.7.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 240323163716253308 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=0
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=100
240323163716253308.eigenfacs
240323163716253308.atom
making animated gifs
11 models are in 240323163716253308.8.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 240323163716253308.8.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 240323163716253308.8.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 240323163716253308 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=0
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=100
240323163716253308.eigenfacs
240323163716253308.atom
making animated gifs
11 models are in 240323163716253308.9.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 240323163716253308.9.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 240323163716253308.9.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 240323163716253308 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=0
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=100
240323163716253308.eigenfacs
240323163716253308.atom
making animated gifs
11 models are in 240323163716253308.10.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 240323163716253308.10.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 240323163716253308.10.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 240323163716253308 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=-20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=0
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=20
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=40
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=60
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=80
240323163716253308.eigenfacs
240323163716253308.atom
calculating perturbed structure for DQ=100
240323163716253308.eigenfacs
240323163716253308.atom
making animated gifs
11 models are in 240323163716253308.11.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 240323163716253308.11.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 240323163716253308.11.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
240323163716253308.10.pdb
240323163716253308.11.pdb
240323163716253308.7.pdb
240323163716253308.8.pdb
240323163716253308.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m30.285s
user 0m30.205s
sys 0m0.080s
../../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: 240323163716253308.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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