*** BLOOD CLOTTING 03-MAR-09 XXXX ***
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 = 2404291740473631617.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 2404291740473631617.atom to be opened.
Openam> File opened: 2404291740473631617.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 = 1929
First residue number = 27
Last residue number = 4
Number of atoms found = 15510
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 56.957064 +/- 146.076373 From: -158.337000 To: 276.793000
= 2.957376 +/- 14.290261 From: -37.670000 To: 33.509000
= -54.532275 +/- 49.029440 From: -136.015000 To: 29.668000
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 -0.5503 % Filled.
Pdbmat> 5860412 non-zero elements.
Pdbmat> 640913 atom-atom interactions.
Pdbmat> Number per atom= 82.65 +/- 22.91
Maximum number = 137
Minimum number = 16
Pdbmat> Matrix trace = 1.281826E+07
Pdbmat> Larger element = 526.558
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1929 non-zero elements, NRBL set to 10
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 = 2404291740473631617.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 10
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 2404291740473631617.atom to be opened.
Openam> file on opening on unit 11:
2404291740473631617.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 15510 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 10 residue(s) per block.
Blocpdb> 1929 residues.
Blocpdb> 80 atoms in block 1
Block first atom: 1
Blocpdb> 87 atoms in block 2
Block first atom: 81
Blocpdb> 72 atoms in block 3
Block first atom: 168
Blocpdb> 86 atoms in block 4
Block first atom: 240
Blocpdb> 88 atoms in block 5
Block first atom: 326
Blocpdb> 81 atoms in block 6
Block first atom: 414
Blocpdb> 78 atoms in block 7
Block first atom: 495
Blocpdb> 79 atoms in block 8
Block first atom: 573
Blocpdb> 87 atoms in block 9
Block first atom: 652
Blocpdb> 85 atoms in block 10
Block first atom: 739
Blocpdb> 85 atoms in block 11
Block first atom: 824
Blocpdb> 81 atoms in block 12
Block first atom: 909
Blocpdb> 84 atoms in block 13
Block first atom: 990
Blocpdb> 73 atoms in block 14
Block first atom: 1074
Blocpdb> 81 atoms in block 15
Block first atom: 1147
Blocpdb> 90 atoms in block 16
Block first atom: 1228
Blocpdb> 75 atoms in block 17
Block first atom: 1318
Blocpdb> 39 atoms in block 18
Block first atom: 1393
Blocpdb> 66 atoms in block 19
Block first atom: 1432
Blocpdb> 68 atoms in block 20
Block first atom: 1498
Blocpdb> 73 atoms in block 21
Block first atom: 1566
Blocpdb> 85 atoms in block 22
Block first atom: 1639
Blocpdb> 77 atoms in block 23
Block first atom: 1724
Blocpdb> 78 atoms in block 24
Block first atom: 1801
Blocpdb> 93 atoms in block 25
Block first atom: 1879
Blocpdb> 87 atoms in block 26
Block first atom: 1972
Blocpdb> 81 atoms in block 27
Block first atom: 2059
Blocpdb> 87 atoms in block 28
Block first atom: 2140
Blocpdb> 78 atoms in block 29
Block first atom: 2227
Blocpdb> 83 atoms in block 30
Block first atom: 2305
Blocpdb> 79 atoms in block 31
Block first atom: 2388
Blocpdb> 80 atoms in block 32
Block first atom: 2467
Blocpdb> 69 atoms in block 33
Block first atom: 2547
Blocpdb> 82 atoms in block 34
Block first atom: 2616
Blocpdb> 75 atoms in block 35
Block first atom: 2698
Blocpdb> 82 atoms in block 36
Block first atom: 2773
Blocpdb> 77 atoms in block 37
Block first atom: 2855
Blocpdb> 85 atoms in block 38
Block first atom: 2932
Blocpdb> 82 atoms in block 39
Block first atom: 3017
Blocpdb> 76 atoms in block 40
Block first atom: 3099
Blocpdb> 73 atoms in block 41
Block first atom: 3175
Blocpdb> 82 atoms in block 42
Block first atom: 3248
Blocpdb> 77 atoms in block 43
Block first atom: 3330
Blocpdb> 88 atoms in block 44
Block first atom: 3407
Blocpdb> 77 atoms in block 45
Block first atom: 3495
Blocpdb> 77 atoms in block 46
Block first atom: 3572
Blocpdb> 86 atoms in block 47
Block first atom: 3649
Blocpdb> 62 atoms in block 48
Block first atom: 3735
Blocpdb> 78 atoms in block 49
Block first atom: 3797
Blocpdb> 80 atoms in block 50
Block first atom: 3875
Blocpdb> 88 atoms in block 51
Block first atom: 3955
Blocpdb> 80 atoms in block 52
Block first atom: 4043
Blocpdb> 85 atoms in block 53
Block first atom: 4123
Blocpdb> 82 atoms in block 54
Block first atom: 4208
Blocpdb> 85 atoms in block 55
Block first atom: 4290
Blocpdb> 78 atoms in block 56
Block first atom: 4375
Blocpdb> 89 atoms in block 57
Block first atom: 4453
Blocpdb> 88 atoms in block 58
Block first atom: 4542
Blocpdb> 11 atoms in block 59
Block first atom: 4630
Blocpdb> 77 atoms in block 60
Block first atom: 4641
Blocpdb> 78 atoms in block 61
Block first atom: 4718
Blocpdb> 79 atoms in block 62
Block first atom: 4796
Blocpdb> 85 atoms in block 63
Block first atom: 4875
Blocpdb> 77 atoms in block 64
Block first atom: 4960
Blocpdb> 82 atoms in block 65
Block first atom: 5037
Blocpdb> 71 atoms in block 66
Block first atom: 5119
Blocpdb> 85 atoms in block 67
Block first atom: 5190
Blocpdb> 82 atoms in block 68
Block first atom: 5275
Blocpdb> 85 atoms in block 69
Block first atom: 5357
Blocpdb> 83 atoms in block 70
Block first atom: 5442
Blocpdb> 78 atoms in block 71
Block first atom: 5525
Blocpdb> 77 atoms in block 72
Block first atom: 5603
Blocpdb> 77 atoms in block 73
Block first atom: 5680
Blocpdb> 74 atoms in block 74
Block first atom: 5757
Blocpdb> 82 atoms in block 75
Block first atom: 5831
Blocpdb> 84 atoms in block 76
Block first atom: 5913
Blocpdb> 70 atoms in block 77
Block first atom: 5997
Blocpdb> 81 atoms in block 78
Block first atom: 6067
Blocpdb> 98 atoms in block 79
Block first atom: 6148
Blocpdb> 68 atoms in block 80
Block first atom: 6246
Blocpdb> 87 atoms in block 81
Block first atom: 6314
Blocpdb> 74 atoms in block 82
Block first atom: 6401
Blocpdb> 91 atoms in block 83
Block first atom: 6475
Blocpdb> 73 atoms in block 84
Block first atom: 6566
Blocpdb> 77 atoms in block 85
Block first atom: 6639
Blocpdb> 87 atoms in block 86
Block first atom: 6716
Blocpdb> 68 atoms in block 87
Block first atom: 6803
Blocpdb> 80 atoms in block 88
Block first atom: 6871
Blocpdb> 80 atoms in block 89
Block first atom: 6951
Blocpdb> 90 atoms in block 90
Block first atom: 7031
Blocpdb> 63 atoms in block 91
Block first atom: 7121
Blocpdb> 88 atoms in block 92
Block first atom: 7184
Blocpdb> 75 atoms in block 93
Block first atom: 7272
Blocpdb> 76 atoms in block 94
Block first atom: 7347
Blocpdb> 85 atoms in block 95
Block first atom: 7423
Blocpdb> 90 atoms in block 96
Block first atom: 7508
Blocpdb> 85 atoms in block 97
Block first atom: 7598
Blocpdb> 8 atoms in block 98
Block first atom: 7683
Blocpdb> 80 atoms in block 99
Block first atom: 7691
Blocpdb> 87 atoms in block 100
Block first atom: 7771
Blocpdb> 72 atoms in block 101
Block first atom: 7858
Blocpdb> 86 atoms in block 102
Block first atom: 7930
Blocpdb> 88 atoms in block 103
Block first atom: 8016
Blocpdb> 81 atoms in block 104
Block first atom: 8104
Blocpdb> 78 atoms in block 105
Block first atom: 8185
Blocpdb> 79 atoms in block 106
Block first atom: 8263
Blocpdb> 87 atoms in block 107
Block first atom: 8342
Blocpdb> 85 atoms in block 108
Block first atom: 8429
Blocpdb> 85 atoms in block 109
Block first atom: 8514
Blocpdb> 81 atoms in block 110
Block first atom: 8599
Blocpdb> 84 atoms in block 111
Block first atom: 8680
Blocpdb> 73 atoms in block 112
Block first atom: 8764
Blocpdb> 81 atoms in block 113
Block first atom: 8837
Blocpdb> 90 atoms in block 114
Block first atom: 8918
Blocpdb> 75 atoms in block 115
Block first atom: 9008
Blocpdb> 39 atoms in block 116
Block first atom: 9083
Blocpdb> 66 atoms in block 117
Block first atom: 9122
Blocpdb> 68 atoms in block 118
Block first atom: 9188
Blocpdb> 73 atoms in block 119
Block first atom: 9256
Blocpdb> 85 atoms in block 120
Block first atom: 9329
Blocpdb> 77 atoms in block 121
Block first atom: 9414
Blocpdb> 78 atoms in block 122
Block first atom: 9491
Blocpdb> 93 atoms in block 123
Block first atom: 9569
Blocpdb> 87 atoms in block 124
Block first atom: 9662
Blocpdb> 81 atoms in block 125
Block first atom: 9749
Blocpdb> 87 atoms in block 126
Block first atom: 9830
Blocpdb> 78 atoms in block 127
Block first atom: 9917
Blocpdb> 83 atoms in block 128
Block first atom: 9995
Blocpdb> 79 atoms in block 129
Block first atom: 10078
Blocpdb> 80 atoms in block 130
Block first atom: 10157
Blocpdb> 69 atoms in block 131
Block first atom: 10237
Blocpdb> 82 atoms in block 132
Block first atom: 10306
Blocpdb> 75 atoms in block 133
Block first atom: 10388
Blocpdb> 82 atoms in block 134
Block first atom: 10463
Blocpdb> 77 atoms in block 135
Block first atom: 10545
Blocpdb> 85 atoms in block 136
Block first atom: 10622
Blocpdb> 82 atoms in block 137
Block first atom: 10707
Blocpdb> 76 atoms in block 138
Block first atom: 10789
Blocpdb> 73 atoms in block 139
Block first atom: 10865
Blocpdb> 82 atoms in block 140
Block first atom: 10938
Blocpdb> 77 atoms in block 141
Block first atom: 11020
Blocpdb> 88 atoms in block 142
Block first atom: 11097
Blocpdb> 77 atoms in block 143
Block first atom: 11185
Blocpdb> 77 atoms in block 144
Block first atom: 11262
Blocpdb> 86 atoms in block 145
Block first atom: 11339
Blocpdb> 62 atoms in block 146
Block first atom: 11425
Blocpdb> 78 atoms in block 147
Block first atom: 11487
Blocpdb> 80 atoms in block 148
Block first atom: 11565
Blocpdb> 88 atoms in block 149
Block first atom: 11645
Blocpdb> 80 atoms in block 150
Block first atom: 11733
Blocpdb> 85 atoms in block 151
Block first atom: 11813
Blocpdb> 82 atoms in block 152
Block first atom: 11898
Blocpdb> 85 atoms in block 153
Block first atom: 11980
Blocpdb> 78 atoms in block 154
Block first atom: 12065
Blocpdb> 89 atoms in block 155
Block first atom: 12143
Blocpdb> 88 atoms in block 156
Block first atom: 12232
Blocpdb> 11 atoms in block 157
Block first atom: 12320
Blocpdb> 77 atoms in block 158
Block first atom: 12331
Blocpdb> 78 atoms in block 159
Block first atom: 12408
Blocpdb> 79 atoms in block 160
Block first atom: 12486
Blocpdb> 85 atoms in block 161
Block first atom: 12565
Blocpdb> 77 atoms in block 162
Block first atom: 12650
Blocpdb> 82 atoms in block 163
Block first atom: 12727
Blocpdb> 71 atoms in block 164
Block first atom: 12809
Blocpdb> 85 atoms in block 165
Block first atom: 12880
Blocpdb> 82 atoms in block 166
Block first atom: 12965
Blocpdb> 85 atoms in block 167
Block first atom: 13047
Blocpdb> 83 atoms in block 168
Block first atom: 13132
Blocpdb> 78 atoms in block 169
Block first atom: 13215
Blocpdb> 77 atoms in block 170
Block first atom: 13293
Blocpdb> 77 atoms in block 171
Block first atom: 13370
Blocpdb> 74 atoms in block 172
Block first atom: 13447
Blocpdb> 82 atoms in block 173
Block first atom: 13521
Blocpdb> 84 atoms in block 174
Block first atom: 13603
Blocpdb> 70 atoms in block 175
Block first atom: 13687
Blocpdb> 81 atoms in block 176
Block first atom: 13757
Blocpdb> 98 atoms in block 177
Block first atom: 13838
Blocpdb> 68 atoms in block 178
Block first atom: 13936
Blocpdb> 87 atoms in block 179
Block first atom: 14004
Blocpdb> 74 atoms in block 180
Block first atom: 14091
Blocpdb> 91 atoms in block 181
Block first atom: 14165
Blocpdb> 73 atoms in block 182
Block first atom: 14256
Blocpdb> 77 atoms in block 183
Block first atom: 14329
Blocpdb> 87 atoms in block 184
Block first atom: 14406
Blocpdb> 68 atoms in block 185
Block first atom: 14493
Blocpdb> 80 atoms in block 186
Block first atom: 14561
Blocpdb> 80 atoms in block 187
Block first atom: 14641
Blocpdb> 90 atoms in block 188
Block first atom: 14721
Blocpdb> 63 atoms in block 189
Block first atom: 14811
Blocpdb> 88 atoms in block 190
Block first atom: 14874
Blocpdb> 75 atoms in block 191
Block first atom: 14962
Blocpdb> 76 atoms in block 192
Block first atom: 15037
Blocpdb> 85 atoms in block 193
Block first atom: 15113
Blocpdb> 90 atoms in block 194
Block first atom: 15198
Blocpdb> 85 atoms in block 195
Block first atom: 15288
Blocpdb> 12 atoms in block 196
Block first atom: 15373
Blocpdb> 30 atoms in block 197
Block first atom: 15385
Blocpdb> 30 atoms in block 198
Block first atom: 15415
Blocpdb> 33 atoms in block 199
Block first atom: 15445
Blocpdb> 33 atoms in block 200
Block first atom: 15477
Blocpdb> 200 blocks.
Blocpdb> At most, 98 atoms in each of them.
Blocpdb> At least, 8 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> 5860612 matrix lines read.
Prepmat> Matrix order = 46530
Prepmat> Matrix trace = 12818260.0000
Prepmat> Last element read: 46530 46530 77.6717
Prepmat> 20101 lines saved.
Prepmat> 18693 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: 15510
RTB> Total mass = 15510.0000
RTB> Number of atoms found in matrix: 15510
RTB> Number of blocks = 200
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 186128.9143
RTB> 47652 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 = 1200
Diagstd> Nb of non-zero elements: 47652
Diagstd> Projected matrix trace = 186128.9143
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1200 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 186128.9143
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 0.0009624 0.0014924 0.0057347 0.0100947
0.0114028 0.0384434 0.0429924 0.0832345 0.1097842
0.1478061 0.2027076 0.2345548 0.3221132 0.4363216
0.5808559 0.6670004 0.6810882 0.7539671 0.9371586
1.0342382 1.0873702 1.1410678 1.2658577 1.5413050
1.8560289 1.9182171 2.0144613 2.2549980 2.3210186
2.4876798 3.1400752 3.1854099 3.6356824 3.8701009
4.0971554 4.1859818 4.3482808 4.9395501 5.0983139
5.6593065 5.7315592 6.2107876 6.2723374 6.6264970
7.0086722 7.3421515 7.5108988 7.7601746 8.3603468
8.7218467 9.4729596 10.0586463 10.2562909 10.4515654
11.0732923 11.3289203 11.5004130 11.8786305 12.2031422
12.7445918 13.4700118 14.2510287 14.8247586 14.9026327
15.1889093 15.2338654 15.3708830 15.6281784 16.6372841
16.9488997 17.1699760 17.4226853 17.7346344 17.8185368
18.2369964 18.4216582 19.0384399 19.5404626 19.8483350
20.0847961 20.1528574 20.2632268 20.6658245 20.9696134
21.0149800 21.4507802 21.7609745 22.1633109 22.3461288
22.8118511 23.1355308 23.1972520 23.4359766 23.9330307
24.1946077 24.4866548 24.7768418 24.8517717 25.1868714
25.6289966
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034332 0.0034333 0.0034334 0.0034338 0.0034339
0.0034343 3.3688121 4.1950436 8.2233738 10.9104203
11.5958254 21.2914861 22.5159946 31.3290285 35.9803347
41.7485509 48.8911494 52.5917294 61.6310463 71.7296401
82.7617166 88.6866685 89.6183515 94.2912704 105.1239891
110.4347049 113.2358621 115.9981337 122.1765127 134.8154214
147.9406937 150.3987275 154.1255861 163.0678548 165.4377399
171.2744261 192.4266888 193.8107870 207.0562053 213.6271392
219.8044577 222.1743654 226.4404834 241.3453721 245.1932808
258.3312152 259.9750516 270.6254389 271.9631012 279.5357016
287.4836531 294.2435491 297.6056942 302.5039339 313.9839337
320.7004024 334.2243769 344.4015110 347.7686629 351.0637212
361.3546624 365.5018168 368.2578376 374.2643548 379.3421638
387.6664756 398.5467470 409.9381979 418.1085953 419.2053145
423.2125862 423.8384346 425.7402287 429.2887040 442.9314276
447.0602275 449.9664403 453.2656686 457.3054741 458.3859520
463.7372007 466.0791124 473.8173493 480.0237228 483.7904829
486.6637456 487.4876256 488.8206940 493.6528503 497.2679771
497.8055915 502.9407515 506.5641490 511.2256071 513.3297433
518.6513882 522.3180261 523.0142841 525.6985854 531.2441112
534.1393493 537.3534107 540.5280730 541.3447853 544.9822945
549.7447395
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 15510
Rtb_to_modes> Number of blocs = 200
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: 9.9953E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9966E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9990E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.6242E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.4924E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.7347E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.0095E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.1403E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.8443E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.2992E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.3234E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.1098
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.1478
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.2027
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.2346
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.3221
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.4363
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.5809
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.6670
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.6811
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.7540
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.9372
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.034
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.087
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.141
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.266
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.541
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.856
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.918
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.014
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.255
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.321
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.488
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3.140
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.185
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3.636
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3.870
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 4.097
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 4.186
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.348
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 4.940
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 5.098
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 5.659
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.732
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 6.211
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 6.272
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 6.626
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 7.009
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 7.342
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 7.511
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 7.760
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 8.360
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 8.722
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 9.473
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 10.06
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 10.26
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 10.45
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 11.07
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 11.33
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 11.50
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 12.20
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 12.74
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 13.47
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 14.82
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 14.90
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 15.19
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 15.23
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 15.37
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 15.63
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 16.64
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 16.95
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 17.17
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 17.42
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 17.73
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 17.82
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 18.24
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 18.42
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 19.04
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 19.54
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 19.85
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 20.08
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 20.15
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 20.26
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 20.67
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 20.97
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 21.01
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 21.45
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 21.76
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 22.16
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 22.35
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 22.81
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 23.14
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 23.20
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 23.44
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 23.93
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 24.19
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 24.49
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 24.78
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 24.85
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 25.19
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 25.63
Rtb_to_modes> 106 vectors, with 1200 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 0.99998
1.00000 1.00002 1.00000 0.99999 1.00000
1.00000 0.99999 0.99999 0.99998 0.99999
1.00000 1.00000 1.00002 1.00000 0.99998
1.00001 1.00003 1.00000 1.00000 0.99999
0.99999 1.00000 1.00000 0.99999 1.00000
1.00000 1.00000 0.99999 0.99999 1.00000
1.00001 1.00000 1.00000 1.00001 1.00002
1.00000 1.00000 1.00000 0.99999 1.00001
1.00002 1.00000 1.00001 1.00000 0.99998
0.99999 1.00000 1.00002 1.00001 0.99999
1.00000 1.00000 1.00001 1.00001 0.99999
1.00002 1.00000 1.00001 1.00001 0.99998
1.00003 0.99998 0.99999 0.99998 1.00003
1.00004 0.99998 0.99999 0.99999 0.99997
0.99997 0.99999 1.00001 1.00002 0.99998
1.00000 1.00000 1.00001 1.00000 0.99999
1.00002 1.00003 0.99999 0.99999 1.00000
1.00000 1.00001 0.99997 1.00003 0.99999
1.00002 1.00000 1.00002 1.00001 0.99999
0.99999 1.00002 0.99997 0.99998 0.99999
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 279180 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 0.99998
1.00000 1.00002 1.00000 0.99999 1.00000
1.00000 0.99999 0.99999 0.99998 0.99999
1.00000 1.00000 1.00002 1.00000 0.99998
1.00001 1.00003 1.00000 1.00000 0.99999
0.99999 1.00000 1.00000 0.99999 1.00000
1.00000 1.00000 0.99999 0.99999 1.00000
1.00001 1.00000 1.00000 1.00001 1.00002
1.00000 1.00000 1.00000 0.99999 1.00001
1.00002 1.00000 1.00001 1.00000 0.99998
0.99999 1.00000 1.00002 1.00001 0.99999
1.00000 1.00000 1.00001 1.00001 0.99999
1.00002 1.00000 1.00001 1.00001 0.99998
1.00003 0.99998 0.99999 0.99998 1.00003
1.00004 0.99998 0.99999 0.99999 0.99997
0.99997 0.99999 1.00001 1.00002 0.99998
1.00000 1.00000 1.00001 1.00000 0.99999
1.00002 1.00003 0.99999 0.99999 1.00000
1.00000 1.00001 0.99997 1.00003 0.99999
1.00002 1.00000 1.00002 1.00001 0.99999
0.99999 1.00002 0.99997 0.99998 0.99999
1.00002
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> 2404291740473631617.eigenfacs
Openam> file on opening on unit 10:
2404291740473631617.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404291740473631617.atom
Openam> file on opening on unit 11:
2404291740473631617.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 = 1929
First residue number = 27
Last residue number = 4
Number of atoms found = 15510
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9953E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9966E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.6242E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4924E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7347E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0095E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1403E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.8443E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.2992E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.3234E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1478
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2027
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2346
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4363
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6670
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6811
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9372
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.141
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.266
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.541
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.856
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.014
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.255
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.321
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.488
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3.140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.185
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3.870
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 4.097
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 4.186
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 4.940
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 5.098
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 5.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 6.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 6.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 6.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 7.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 7.342
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 7.511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 7.760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 8.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 8.722
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 9.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 10.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 10.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 11.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 11.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 11.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 12.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 13.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 14.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 14.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 15.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 15.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 16.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 16.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 17.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 17.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 17.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 17.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 18.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 18.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 19.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 19.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 19.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 20.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 20.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 20.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 20.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 20.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 21.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 21.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 21.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 22.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 22.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 22.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 23.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 23.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 23.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 23.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 24.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 24.49
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: 24.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 25.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 25.63
Bfactors> 106 vectors, 46530 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 : 0.000962
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= 0.349 for 1929 C-alpha atoms.
Bfactors> = 2.191 +/- 1.33
Bfactors> = 88.608 +/- 53.44
Bfactors> Shiftng-fct= 86.417
Bfactors> Scaling-fct= 40.247
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404291740473631617 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=0
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=100
2404291740473631617.eigenfacs
2404291740473631617.atom
making animated gifs
11 models are in 2404291740473631617.7.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 2404291740473631617.7.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 2404291740473631617.7.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 2404291740473631617 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=0
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=100
2404291740473631617.eigenfacs
2404291740473631617.atom
making animated gifs
11 models are in 2404291740473631617.8.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 2404291740473631617.8.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 2404291740473631617.8.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 2404291740473631617 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=0
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=100
2404291740473631617.eigenfacs
2404291740473631617.atom
making animated gifs
11 models are in 2404291740473631617.9.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 2404291740473631617.9.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 2404291740473631617.9.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 2404291740473631617 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=0
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=100
2404291740473631617.eigenfacs
2404291740473631617.atom
making animated gifs
11 models are in 2404291740473631617.10.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 2404291740473631617.10.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 2404291740473631617.10.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 2404291740473631617 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=-20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=0
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=20
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=40
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=60
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=80
2404291740473631617.eigenfacs
2404291740473631617.atom
calculating perturbed structure for DQ=100
2404291740473631617.eigenfacs
2404291740473631617.atom
making animated gifs
11 models are in 2404291740473631617.11.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 2404291740473631617.11.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 2404291740473631617.11.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
2404291740473631617.10.pdb
2404291740473631617.11.pdb
2404291740473631617.7.pdb
2404291740473631617.8.pdb
2404291740473631617.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m41.895s
user 1m41.636s
sys 0m0.236s
../../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: 2404291740473631617.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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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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