*** 1ek9 ***
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 = 2402101738242306384.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 2402101738242306384.atom to be opened.
Openam> File opened: 2402101738242306384.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 = 1269
First residue number = 1
Last residue number = 428
Number of atoms found = 9798
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= -3.814663 +/- 28.327528 From: -71.707000 To: 56.700000
= 57.209377 +/- 23.333929 From: 3.019000 To: 105.030000
= 46.603670 +/- 18.170998 From: 5.390000 To: 86.496000
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 0.8426 % Filled.
Pdbmat> 3640355 non-zero elements.
Pdbmat> 398013 atom-atom interactions.
Pdbmat> Number per atom= 81.24 +/- 17.63
Maximum number = 122
Minimum number = 17
Pdbmat> Matrix trace = 7.960260E+06
Pdbmat> Larger element = 515.087
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1269 non-zero elements, NRBL set to 7
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 = 2402101738242306384.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2402101738242306384.atom to be opened.
Openam> file on opening on unit 11:
2402101738242306384.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9798 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1269 residues.
Blocpdb> 25 atoms in block 1
Block first atom: 1
Blocpdb> 62 atoms in block 2
Block first atom: 26
Blocpdb> 57 atoms in block 3
Block first atom: 88
Blocpdb> 52 atoms in block 4
Block first atom: 145
Blocpdb> 55 atoms in block 5
Block first atom: 197
Blocpdb> 54 atoms in block 6
Block first atom: 252
Blocpdb> 45 atoms in block 7
Block first atom: 306
Blocpdb> 57 atoms in block 8
Block first atom: 351
Blocpdb> 56 atoms in block 9
Block first atom: 408
Blocpdb> 45 atoms in block 10
Block first atom: 464
Blocpdb> 53 atoms in block 11
Block first atom: 509
Blocpdb> 27 atoms in block 12
Block first atom: 562
Blocpdb> 60 atoms in block 13
Block first atom: 589
Blocpdb> 49 atoms in block 14
Block first atom: 649
Blocpdb> 60 atoms in block 15
Block first atom: 698
Blocpdb> 56 atoms in block 16
Block first atom: 758
Blocpdb> 52 atoms in block 17
Block first atom: 814
Blocpdb> 55 atoms in block 18
Block first atom: 866
Blocpdb> 57 atoms in block 19
Block first atom: 921
Blocpdb> 57 atoms in block 20
Block first atom: 978
Blocpdb> 59 atoms in block 21
Block first atom: 1035
Blocpdb> 58 atoms in block 22
Block first atom: 1094
Blocpdb> 51 atoms in block 23
Block first atom: 1152
Blocpdb> 58 atoms in block 24
Block first atom: 1203
Blocpdb> 52 atoms in block 25
Block first atom: 1261
Blocpdb> 55 atoms in block 26
Block first atom: 1313
Blocpdb> 57 atoms in block 27
Block first atom: 1368
Blocpdb> 60 atoms in block 28
Block first atom: 1425
Blocpdb> 50 atoms in block 29
Block first atom: 1485
Blocpdb> 59 atoms in block 30
Block first atom: 1535
Blocpdb> 52 atoms in block 31
Block first atom: 1594
Blocpdb> 57 atoms in block 32
Block first atom: 1646
Blocpdb> 58 atoms in block 33
Block first atom: 1703
Blocpdb> 55 atoms in block 34
Block first atom: 1761
Blocpdb> 62 atoms in block 35
Block first atom: 1816
Blocpdb> 51 atoms in block 36
Block first atom: 1878
Blocpdb> 49 atoms in block 37
Block first atom: 1929
Blocpdb> 46 atoms in block 38
Block first atom: 1978
Blocpdb> 55 atoms in block 39
Block first atom: 2024
Blocpdb> 46 atoms in block 40
Block first atom: 2079
Blocpdb> 30 atoms in block 41
Block first atom: 2125
Blocpdb> 49 atoms in block 42
Block first atom: 2155
Blocpdb> 58 atoms in block 43
Block first atom: 2204
Blocpdb> 17 atoms in block 44
Block first atom: 2262
Blocpdb> 55 atoms in block 45
Block first atom: 2279
Blocpdb> 56 atoms in block 46
Block first atom: 2334
Blocpdb> 52 atoms in block 47
Block first atom: 2390
Blocpdb> 55 atoms in block 48
Block first atom: 2442
Blocpdb> 56 atoms in block 49
Block first atom: 2497
Blocpdb> 49 atoms in block 50
Block first atom: 2553
Blocpdb> 57 atoms in block 51
Block first atom: 2602
Blocpdb> 45 atoms in block 52
Block first atom: 2659
Blocpdb> 27 atoms in block 53
Block first atom: 2704
Blocpdb> 47 atoms in block 54
Block first atom: 2731
Blocpdb> 55 atoms in block 55
Block first atom: 2778
Blocpdb> 50 atoms in block 56
Block first atom: 2833
Blocpdb> 60 atoms in block 57
Block first atom: 2883
Blocpdb> 61 atoms in block 58
Block first atom: 2943
Blocpdb> 57 atoms in block 59
Block first atom: 3004
Blocpdb> 47 atoms in block 60
Block first atom: 3061
Blocpdb> 55 atoms in block 61
Block first atom: 3108
Blocpdb> 52 atoms in block 62
Block first atom: 3163
Blocpdb> 52 atoms in block 63
Block first atom: 3215
Blocpdb> 25 atoms in block 64
Block first atom: 3267
Blocpdb> 62 atoms in block 65
Block first atom: 3292
Blocpdb> 57 atoms in block 66
Block first atom: 3354
Blocpdb> 52 atoms in block 67
Block first atom: 3411
Blocpdb> 55 atoms in block 68
Block first atom: 3463
Blocpdb> 54 atoms in block 69
Block first atom: 3518
Blocpdb> 45 atoms in block 70
Block first atom: 3572
Blocpdb> 57 atoms in block 71
Block first atom: 3617
Blocpdb> 56 atoms in block 72
Block first atom: 3674
Blocpdb> 45 atoms in block 73
Block first atom: 3730
Blocpdb> 53 atoms in block 74
Block first atom: 3775
Blocpdb> 27 atoms in block 75
Block first atom: 3828
Blocpdb> 60 atoms in block 76
Block first atom: 3855
Blocpdb> 49 atoms in block 77
Block first atom: 3915
Blocpdb> 60 atoms in block 78
Block first atom: 3964
Blocpdb> 56 atoms in block 79
Block first atom: 4024
Blocpdb> 52 atoms in block 80
Block first atom: 4080
Blocpdb> 55 atoms in block 81
Block first atom: 4132
Blocpdb> 57 atoms in block 82
Block first atom: 4187
Blocpdb> 57 atoms in block 83
Block first atom: 4244
Blocpdb> 59 atoms in block 84
Block first atom: 4301
Blocpdb> 58 atoms in block 85
Block first atom: 4360
Blocpdb> 51 atoms in block 86
Block first atom: 4418
Blocpdb> 58 atoms in block 87
Block first atom: 4469
Blocpdb> 52 atoms in block 88
Block first atom: 4527
Blocpdb> 55 atoms in block 89
Block first atom: 4579
Blocpdb> 57 atoms in block 90
Block first atom: 4634
Blocpdb> 60 atoms in block 91
Block first atom: 4691
Blocpdb> 50 atoms in block 92
Block first atom: 4751
Blocpdb> 59 atoms in block 93
Block first atom: 4801
Blocpdb> 52 atoms in block 94
Block first atom: 4860
Blocpdb> 57 atoms in block 95
Block first atom: 4912
Blocpdb> 58 atoms in block 96
Block first atom: 4969
Blocpdb> 55 atoms in block 97
Block first atom: 5027
Blocpdb> 62 atoms in block 98
Block first atom: 5082
Blocpdb> 51 atoms in block 99
Block first atom: 5144
Blocpdb> 49 atoms in block 100
Block first atom: 5195
Blocpdb> 46 atoms in block 101
Block first atom: 5244
Blocpdb> 55 atoms in block 102
Block first atom: 5290
Blocpdb> 46 atoms in block 103
Block first atom: 5345
Blocpdb> 30 atoms in block 104
Block first atom: 5391
Blocpdb> 49 atoms in block 105
Block first atom: 5421
Blocpdb> 58 atoms in block 106
Block first atom: 5470
Blocpdb> 17 atoms in block 107
Block first atom: 5528
Blocpdb> 55 atoms in block 108
Block first atom: 5545
Blocpdb> 56 atoms in block 109
Block first atom: 5600
Blocpdb> 52 atoms in block 110
Block first atom: 5656
Blocpdb> 55 atoms in block 111
Block first atom: 5708
Blocpdb> 56 atoms in block 112
Block first atom: 5763
Blocpdb> 49 atoms in block 113
Block first atom: 5819
Blocpdb> 57 atoms in block 114
Block first atom: 5868
Blocpdb> 45 atoms in block 115
Block first atom: 5925
Blocpdb> 27 atoms in block 116
Block first atom: 5970
Blocpdb> 47 atoms in block 117
Block first atom: 5997
Blocpdb> 55 atoms in block 118
Block first atom: 6044
Blocpdb> 50 atoms in block 119
Block first atom: 6099
Blocpdb> 60 atoms in block 120
Block first atom: 6149
Blocpdb> 61 atoms in block 121
Block first atom: 6209
Blocpdb> 57 atoms in block 122
Block first atom: 6270
Blocpdb> 47 atoms in block 123
Block first atom: 6327
Blocpdb> 55 atoms in block 124
Block first atom: 6374
Blocpdb> 52 atoms in block 125
Block first atom: 6429
Blocpdb> 52 atoms in block 126
Block first atom: 6481
Blocpdb> 25 atoms in block 127
Block first atom: 6533
Blocpdb> 62 atoms in block 128
Block first atom: 6558
Blocpdb> 57 atoms in block 129
Block first atom: 6620
Blocpdb> 52 atoms in block 130
Block first atom: 6677
Blocpdb> 55 atoms in block 131
Block first atom: 6729
Blocpdb> 54 atoms in block 132
Block first atom: 6784
Blocpdb> 45 atoms in block 133
Block first atom: 6838
Blocpdb> 57 atoms in block 134
Block first atom: 6883
Blocpdb> 56 atoms in block 135
Block first atom: 6940
Blocpdb> 45 atoms in block 136
Block first atom: 6996
Blocpdb> 53 atoms in block 137
Block first atom: 7041
Blocpdb> 27 atoms in block 138
Block first atom: 7094
Blocpdb> 60 atoms in block 139
Block first atom: 7121
Blocpdb> 49 atoms in block 140
Block first atom: 7181
Blocpdb> 60 atoms in block 141
Block first atom: 7230
Blocpdb> 56 atoms in block 142
Block first atom: 7290
Blocpdb> 52 atoms in block 143
Block first atom: 7346
Blocpdb> 55 atoms in block 144
Block first atom: 7398
Blocpdb> 57 atoms in block 145
Block first atom: 7453
Blocpdb> 57 atoms in block 146
Block first atom: 7510
Blocpdb> 59 atoms in block 147
Block first atom: 7567
Blocpdb> 58 atoms in block 148
Block first atom: 7626
Blocpdb> 51 atoms in block 149
Block first atom: 7684
Blocpdb> 58 atoms in block 150
Block first atom: 7735
Blocpdb> 52 atoms in block 151
Block first atom: 7793
Blocpdb> 55 atoms in block 152
Block first atom: 7845
Blocpdb> 57 atoms in block 153
Block first atom: 7900
Blocpdb> 60 atoms in block 154
Block first atom: 7957
Blocpdb> 50 atoms in block 155
Block first atom: 8017
Blocpdb> 59 atoms in block 156
Block first atom: 8067
Blocpdb> 52 atoms in block 157
Block first atom: 8126
Blocpdb> 57 atoms in block 158
Block first atom: 8178
Blocpdb> 58 atoms in block 159
Block first atom: 8235
Blocpdb> 55 atoms in block 160
Block first atom: 8293
Blocpdb> 62 atoms in block 161
Block first atom: 8348
Blocpdb> 51 atoms in block 162
Block first atom: 8410
Blocpdb> 49 atoms in block 163
Block first atom: 8461
Blocpdb> 46 atoms in block 164
Block first atom: 8510
Blocpdb> 55 atoms in block 165
Block first atom: 8556
Blocpdb> 46 atoms in block 166
Block first atom: 8611
Blocpdb> 30 atoms in block 167
Block first atom: 8657
Blocpdb> 49 atoms in block 168
Block first atom: 8687
Blocpdb> 58 atoms in block 169
Block first atom: 8736
Blocpdb> 17 atoms in block 170
Block first atom: 8794
Blocpdb> 55 atoms in block 171
Block first atom: 8811
Blocpdb> 56 atoms in block 172
Block first atom: 8866
Blocpdb> 52 atoms in block 173
Block first atom: 8922
Blocpdb> 55 atoms in block 174
Block first atom: 8974
Blocpdb> 56 atoms in block 175
Block first atom: 9029
Blocpdb> 49 atoms in block 176
Block first atom: 9085
Blocpdb> 57 atoms in block 177
Block first atom: 9134
Blocpdb> 45 atoms in block 178
Block first atom: 9191
Blocpdb> 27 atoms in block 179
Block first atom: 9236
Blocpdb> 47 atoms in block 180
Block first atom: 9263
Blocpdb> 55 atoms in block 181
Block first atom: 9310
Blocpdb> 50 atoms in block 182
Block first atom: 9365
Blocpdb> 60 atoms in block 183
Block first atom: 9415
Blocpdb> 61 atoms in block 184
Block first atom: 9475
Blocpdb> 57 atoms in block 185
Block first atom: 9536
Blocpdb> 47 atoms in block 186
Block first atom: 9593
Blocpdb> 55 atoms in block 187
Block first atom: 9640
Blocpdb> 52 atoms in block 188
Block first atom: 9695
Blocpdb> 52 atoms in block 189
Block first atom: 9746
Blocpdb> 189 blocks.
Blocpdb> At most, 62 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> 3640544 matrix lines read.
Prepmat> Matrix order = 29394
Prepmat> Matrix trace = 7960260.0000
Prepmat> Last element read: 29394 29394 129.6641
Prepmat> 17956 lines saved.
Prepmat> 16695 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: 9798
RTB> Total mass = 9798.0000
RTB> Number of atoms found in matrix: 9798
RTB> Number of blocks = 189
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 190080.1922
RTB> 42525 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 = 1134
Diagstd> Nb of non-zero elements: 42525
Diagstd> Projected matrix trace = 190080.1922
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1134 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 190080.1922
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 0.7956595 0.8055033 1.5776392 1.8764621
1.8881665 2.3884586 2.5013088 2.7327934 2.7966152
2.8213811 3.5529420 3.5736243 3.8199468 4.6907167
4.7189494 4.8091911 5.1155430 5.1422179 6.1107067
6.1209325 6.7534147 7.2835781 7.5930756 7.6609010
8.2881969 8.4491582 8.4663032 8.8737638 9.1621993
9.2020928 9.4615365 9.4827379 9.6330588 9.9177430
10.8086509 11.1962235 11.2520268 11.5182072 11.5798210
11.9662307 12.2853000 13.3313279 13.6177311 13.8633060
13.9266579 14.8628463 15.0194648 15.1329893 15.8084918
15.8321145 15.8657074 16.5012701 16.5102186 16.5823028
17.3115425 17.9066327 17.9448435 18.3232021 18.8023708
18.9999442 19.0641885 19.5982507 19.6963942 19.7334612
20.6102898 20.6568106 21.8649316 22.3219164 22.3758290
22.4696587 23.4528715 23.6220307 23.6782392 23.7951345
24.4562085 24.8902005 24.9709729 25.4440764 26.0866655
26.1177414 26.5846791 26.6099305 26.8145503 27.8555534
27.8838364 28.6543900 28.9886137 29.0724249 29.5058567
29.9464346 29.9777454 31.0943967 31.4641326 31.4821412
31.6452171 31.6841478 31.7930496 31.9795132 33.1423548
33.1616051
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034320 0.0034336 0.0034342 0.0034343
0.0034358 96.8632237 97.4605687 136.3952135 148.7528089
149.2160088 167.8240285 171.7429577 179.5141458 181.5982398
182.4005546 204.6865654 205.2814602 212.2383867 235.1878497
235.8945693 238.1394239 245.6072312 246.2467566 268.4361501
268.6606583 282.1999866 293.0675082 299.2293182 300.5627837
312.6261560 315.6472436 315.9673360 323.4813239 328.6965513
329.4113698 334.0228028 334.3968314 337.0368486 341.9807853
357.0105303 363.3549324 364.2593085 368.5426238 369.5270238
375.6418459 380.6169841 396.4897692 400.7261259 404.3232216
405.2459971 418.6453521 420.8453261 422.4328110 431.7581060
432.0805747 432.5387293 441.1171738 441.2367658 442.1989439
451.8176199 459.5176978 460.0077170 464.8319437 470.8706134
473.3380781 474.1376489 480.7329997 481.9351959 482.3884643
492.9891142 493.5451793 507.7726926 513.0515678 513.6707633
514.7466370 525.8880378 527.7811738 528.4087278 529.7114517
537.0192388 541.7631706 542.6415094 547.7578699 554.6315424
554.9617987 559.9006752 560.1665228 562.3161268 573.1274050
573.4182925 581.2873399 584.6675683 585.5121460 589.8606083
594.2481548 594.5587351 605.5309532 609.1204241 609.2947160
610.8707355 611.2463733 612.2959315 614.0888391 625.1539239
625.3354539
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9798
Rtb_to_modes> Number of blocs = 189
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: 9.9872E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9883E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.7957
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.8055
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.578
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.876
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.888
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.388
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.501
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.733
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.797
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.821
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 3.553
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.574
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.820
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.691
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 4.719
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.809
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.116
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.142
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.111
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.121
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 6.753
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.284
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 7.593
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.661
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 8.288
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 8.449
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 8.466
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 8.874
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 9.162
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 9.202
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 9.462
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 9.483
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 9.633
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 9.918
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 10.81
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 11.20
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 11.25
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 11.52
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 11.58
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 11.97
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 12.29
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 13.33
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 13.62
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 13.86
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 13.93
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 14.86
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 15.02
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 15.13
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 15.81
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 15.83
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 15.87
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 16.50
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 16.51
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 16.58
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 17.31
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 17.91
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 17.94
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 18.32
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 18.80
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 19.00
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 19.06
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 19.60
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 19.70
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 19.73
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 20.61
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 20.66
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 21.86
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 22.32
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 22.38
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 22.47
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 23.45
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 23.62
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 23.68
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 23.80
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 24.46
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 24.89
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 24.97
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 25.44
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 26.09
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 26.12
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 26.58
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 26.61
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 26.81
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 27.88
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 28.65
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 28.99
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 29.07
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 29.51
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 29.95
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 29.98
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 31.09
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 31.46
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 31.48
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 31.65
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 31.68
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 31.79
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 31.98
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 33.14
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 33.16
Rtb_to_modes> 106 vectors, with 1134 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00001 0.99999 1.00000
1.00000 1.00000 1.00000 0.99999 1.00000
1.00002 0.99998 1.00000 1.00002 1.00001
0.99998 1.00001 1.00001 1.00000 0.99999
1.00000 1.00006 0.99998 1.00002 1.00000
1.00000 1.00001 0.99999 1.00003 1.00001
0.99998 1.00001 0.99999 1.00000 0.99998
1.00001 1.00002 1.00000 0.99995 1.00000
1.00001 0.99999 0.99998 1.00001 1.00000
1.00001 1.00000 0.99999 1.00000 0.99999
0.99998 0.99998 1.00000 1.00001 0.99998
1.00000 0.99999 0.99999 0.99999 1.00000
1.00000 0.99999 1.00001 1.00000 0.99999
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00001 1.00000 1.00001 1.00000
1.00000 0.99999 1.00000 1.00002 1.00002
1.00002 1.00001 1.00002 0.99999 0.99999
1.00000 0.99999 1.00000 1.00000 0.99999
1.00002 0.99999 1.00000 1.00000 0.99999
1.00001 1.00000 1.00001 0.99999 0.99999
1.00000 0.99999 1.00001 1.00001 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 176364 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00001 0.99999 1.00000
1.00000 1.00000 1.00000 0.99999 1.00000
1.00002 0.99998 1.00000 1.00002 1.00001
0.99998 1.00001 1.00001 1.00000 0.99999
1.00000 1.00006 0.99998 1.00002 1.00000
1.00000 1.00001 0.99999 1.00003 1.00001
0.99998 1.00001 0.99999 1.00000 0.99998
1.00001 1.00002 1.00000 0.99995 1.00000
1.00001 0.99999 0.99998 1.00001 1.00000
1.00001 1.00000 0.99999 1.00000 0.99999
0.99998 0.99998 1.00000 1.00001 0.99998
1.00000 0.99999 0.99999 0.99999 1.00000
1.00000 0.99999 1.00001 1.00000 0.99999
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00001 1.00000 1.00001 1.00000
1.00000 0.99999 1.00000 1.00002 1.00002
1.00002 1.00001 1.00002 0.99999 0.99999
1.00000 0.99999 1.00000 1.00000 0.99999
1.00002 0.99999 1.00000 1.00000 0.99999
1.00001 1.00000 1.00001 0.99999 0.99999
1.00000 0.99999 1.00001 1.00001 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> 2402101738242306384.eigenfacs
Openam> file on opening on unit 10:
2402101738242306384.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402101738242306384.atom
Openam> file on opening on unit 11:
2402101738242306384.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 = 1269
First residue number = 1
Last residue number = 428
Number of atoms found = 9798
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9872E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9883E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.578
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.388
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.733
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.821
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 3.553
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.820
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.691
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 4.719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.116
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.121
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 6.753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.284
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 7.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.661
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 8.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 8.449
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 8.466
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 8.874
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 9.162
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 9.202
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 9.462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 9.483
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 9.633
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 9.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 11.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 11.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 11.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 11.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 11.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 12.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 13.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 13.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 13.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 14.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 15.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 15.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 15.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 15.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 15.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 16.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 16.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 16.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 17.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 17.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 17.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 18.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 18.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 19.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 19.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 19.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 19.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 20.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 20.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 22.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 22.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 22.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 23.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 23.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 23.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 23.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 24.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 24.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 24.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 25.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 26.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 26.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 26.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 26.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 26.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 27.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 28.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 28.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 29.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 29.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 29.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 29.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 31.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 31.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 31.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 31.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 31.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 31.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 31.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 33.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 33.16
Bfactors> 106 vectors, 29394 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 : 0.795700
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= 0.504 for 1269 C-alpha atoms.
Bfactors> = 0.021 +/- 0.02
Bfactors> = 48.139 +/- 15.68
Bfactors> Shiftng-fct= 48.118
Bfactors> Scaling-fct= 800.848
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402101738242306384 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=0
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=100
2402101738242306384.eigenfacs
2402101738242306384.atom
making animated gifs
11 models are in 2402101738242306384.7.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 2402101738242306384.7.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 2402101738242306384.7.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 2402101738242306384 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=0
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=100
2402101738242306384.eigenfacs
2402101738242306384.atom
making animated gifs
11 models are in 2402101738242306384.8.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 2402101738242306384.8.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 2402101738242306384.8.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 2402101738242306384 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=0
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=100
2402101738242306384.eigenfacs
2402101738242306384.atom
making animated gifs
11 models are in 2402101738242306384.9.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 2402101738242306384.9.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 2402101738242306384.9.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 2402101738242306384 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=0
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=100
2402101738242306384.eigenfacs
2402101738242306384.atom
making animated gifs
11 models are in 2402101738242306384.10.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 2402101738242306384.10.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 2402101738242306384.10.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 2402101738242306384 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=-20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=0
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=20
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=40
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=60
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=80
2402101738242306384.eigenfacs
2402101738242306384.atom
calculating perturbed structure for DQ=100
2402101738242306384.eigenfacs
2402101738242306384.atom
making animated gifs
11 models are in 2402101738242306384.11.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 2402101738242306384.11.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 2402101738242306384.11.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
2402101738242306384.10.pdb
2402101738242306384.11.pdb
2402101738242306384.7.pdb
2402101738242306384.8.pdb
2402101738242306384.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m51.455s
user 0m51.319s
sys 0m0.136s
../../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: 2402101738242306384.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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