*** CME3 ***
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 = 240129143344768690.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 240129143344768690.atom to be opened.
Openam> File opened: 240129143344768690.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 = 165
First residue number = 1
Last residue number = 165
Number of atoms found = 1178
Mean number per residue = 7.1
Pdbmat> Coordinate statistics:
= 2.482670 +/- 9.989638 From: -25.984000 To: 23.672000
= 5.089466 +/- 14.340656 From: -22.031000 To: 45.406000
= -3.256580 +/- 17.208082 From: -58.812000 To: 33.438000
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 4.1722 % Filled.
Pdbmat> 260613 non-zero elements.
Pdbmat> 28205 atom-atom interactions.
Pdbmat> Number per atom= 47.89 +/- 18.42
Maximum number = 96
Minimum number = 8
Pdbmat> Matrix trace = 564100.
Pdbmat> Larger element = 381.382
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
165 non-zero elements, NRBL set to 1
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 = 240129143344768690.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 240129143344768690.atom to be opened.
Openam> file on opening on unit 11:
240129143344768690.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1178 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 165 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 4 atoms in block 2
Block first atom: 9
Blocpdb> 4 atoms in block 3
Block first atom: 13
Blocpdb> 6 atoms in block 4
Block first atom: 17
Blocpdb> 5 atoms in block 5
Block first atom: 23
Blocpdb> 6 atoms in block 6
Block first atom: 28
Blocpdb> 8 atoms in block 7
Block first atom: 34
Blocpdb> 9 atoms in block 8
Block first atom: 42
Blocpdb> 10 atoms in block 9
Block first atom: 51
Blocpdb> 7 atoms in block 10
Block first atom: 61
Blocpdb> 5 atoms in block 11
Block first atom: 68
Blocpdb> 7 atoms in block 12
Block first atom: 73
Blocpdb> 11 atoms in block 13
Block first atom: 80
Blocpdb> 4 atoms in block 14
Block first atom: 91
Blocpdb> 6 atoms in block 15
Block first atom: 95
Blocpdb> 9 atoms in block 16
Block first atom: 101
Blocpdb> 8 atoms in block 17
Block first atom: 110
Blocpdb> 5 atoms in block 18
Block first atom: 118
Blocpdb> 7 atoms in block 19
Block first atom: 123
Blocpdb> 8 atoms in block 20
Block first atom: 130
Blocpdb> 4 atoms in block 21
Block first atom: 138
Blocpdb> 7 atoms in block 22
Block first atom: 142
Blocpdb> 4 atoms in block 23
Block first atom: 149
Blocpdb> 7 atoms in block 24
Block first atom: 153
Blocpdb> 4 atoms in block 25
Block first atom: 160
Blocpdb> 8 atoms in block 26
Block first atom: 164
Blocpdb> 12 atoms in block 27
Block first atom: 172
Blocpdb> 7 atoms in block 28
Block first atom: 184
Blocpdb> 5 atoms in block 29
Block first atom: 191
Blocpdb> 6 atoms in block 30
Block first atom: 196
Blocpdb> 10 atoms in block 31
Block first atom: 202
Blocpdb> 7 atoms in block 32
Block first atom: 212
Blocpdb> 7 atoms in block 33
Block first atom: 219
Blocpdb> 8 atoms in block 34
Block first atom: 226
Blocpdb> 4 atoms in block 35
Block first atom: 234
Blocpdb> 7 atoms in block 36
Block first atom: 238
Blocpdb> 9 atoms in block 37
Block first atom: 245
Blocpdb> 8 atoms in block 38
Block first atom: 254
Blocpdb> 8 atoms in block 39
Block first atom: 262
Blocpdb> 4 atoms in block 40
Block first atom: 270
Blocpdb> 7 atoms in block 41
Block first atom: 274
Blocpdb> 4 atoms in block 42
Block first atom: 281
Blocpdb> 7 atoms in block 43
Block first atom: 285
Blocpdb> 4 atoms in block 44
Block first atom: 292
Blocpdb> 8 atoms in block 45
Block first atom: 296
Blocpdb> 9 atoms in block 46
Block first atom: 304
Blocpdb> 7 atoms in block 47
Block first atom: 313
Blocpdb> 6 atoms in block 48
Block first atom: 320
Blocpdb> 8 atoms in block 49
Block first atom: 326
Blocpdb> 9 atoms in block 50
Block first atom: 334
Blocpdb> 8 atoms in block 51
Block first atom: 343
Blocpdb> 4 atoms in block 52
Block first atom: 351
Blocpdb> 8 atoms in block 53
Block first atom: 355
Blocpdb> 9 atoms in block 54
Block first atom: 363
Blocpdb> 7 atoms in block 55
Block first atom: 372
Blocpdb> 8 atoms in block 56
Block first atom: 379
Blocpdb> 8 atoms in block 57
Block first atom: 387
Blocpdb> 6 atoms in block 58
Block first atom: 395
Blocpdb> 10 atoms in block 59
Block first atom: 401
Blocpdb> 8 atoms in block 60
Block first atom: 411
Blocpdb> 14 atoms in block 61
Block first atom: 419
Blocpdb> 7 atoms in block 62
Block first atom: 433
Blocpdb> 4 atoms in block 63
Block first atom: 440
Blocpdb> 7 atoms in block 64
Block first atom: 444
Blocpdb> 4 atoms in block 65
Block first atom: 451
Blocpdb> 7 atoms in block 66
Block first atom: 455
Blocpdb> 4 atoms in block 67
Block first atom: 462
Blocpdb> 7 atoms in block 68
Block first atom: 466
Blocpdb> 6 atoms in block 69
Block first atom: 473
Blocpdb> 5 atoms in block 70
Block first atom: 479
Blocpdb> 7 atoms in block 71
Block first atom: 484
Blocpdb> 6 atoms in block 72
Block first atom: 491
Blocpdb> 7 atoms in block 73
Block first atom: 497
Blocpdb> 8 atoms in block 74
Block first atom: 504
Blocpdb> 7 atoms in block 75
Block first atom: 512
Blocpdb> 4 atoms in block 76
Block first atom: 519
Blocpdb> 7 atoms in block 77
Block first atom: 523
Blocpdb> 8 atoms in block 78
Block first atom: 530
Blocpdb> 4 atoms in block 79
Block first atom: 538
Blocpdb> 10 atoms in block 80
Block first atom: 542
Blocpdb> 11 atoms in block 81
Block first atom: 552
Blocpdb> 4 atoms in block 82
Block first atom: 563
Blocpdb> 7 atoms in block 83
Block first atom: 567
Blocpdb> 4 atoms in block 84
Block first atom: 574
Blocpdb> 7 atoms in block 85
Block first atom: 578
Blocpdb> 4 atoms in block 86
Block first atom: 585
Blocpdb> 10 atoms in block 87
Block first atom: 589
Blocpdb> 5 atoms in block 88
Block first atom: 599
Blocpdb> 5 atoms in block 89
Block first atom: 604
Blocpdb> 7 atoms in block 90
Block first atom: 609
Blocpdb> 7 atoms in block 91
Block first atom: 616
Blocpdb> 8 atoms in block 92
Block first atom: 623
Blocpdb> 10 atoms in block 93
Block first atom: 631
Blocpdb> 9 atoms in block 94
Block first atom: 641
Blocpdb> 9 atoms in block 95
Block first atom: 650
Blocpdb> 14 atoms in block 96
Block first atom: 659
Blocpdb> 9 atoms in block 97
Block first atom: 673
Blocpdb> 12 atoms in block 98
Block first atom: 682
Blocpdb> 8 atoms in block 99
Block first atom: 694
Blocpdb> 6 atoms in block 100
Block first atom: 702
Blocpdb> 7 atoms in block 101
Block first atom: 708
Blocpdb> 8 atoms in block 102
Block first atom: 715
Blocpdb> 7 atoms in block 103
Block first atom: 723
Blocpdb> 7 atoms in block 104
Block first atom: 730
Blocpdb> 11 atoms in block 105
Block first atom: 737
Blocpdb> 8 atoms in block 106
Block first atom: 748
Blocpdb> 5 atoms in block 107
Block first atom: 756
Blocpdb> 9 atoms in block 108
Block first atom: 761
Blocpdb> 8 atoms in block 109
Block first atom: 770
Blocpdb> 4 atoms in block 110
Block first atom: 778
Blocpdb> 8 atoms in block 111
Block first atom: 782
Blocpdb> 11 atoms in block 112
Block first atom: 790
Blocpdb> 9 atoms in block 113
Block first atom: 801
Blocpdb> 4 atoms in block 114
Block first atom: 810
Blocpdb> 9 atoms in block 115
Block first atom: 814
Blocpdb> 8 atoms in block 116
Block first atom: 823
Blocpdb> 10 atoms in block 117
Block first atom: 831
Blocpdb> 8 atoms in block 118
Block first atom: 841
Blocpdb> 7 atoms in block 119
Block first atom: 849
Blocpdb> 11 atoms in block 120
Block first atom: 856
Blocpdb> 4 atoms in block 121
Block first atom: 867
Blocpdb> 7 atoms in block 122
Block first atom: 871
Blocpdb> 4 atoms in block 123
Block first atom: 878
Blocpdb> 7 atoms in block 124
Block first atom: 882
Blocpdb> 4 atoms in block 125
Block first atom: 889
Blocpdb> 8 atoms in block 126
Block first atom: 893
Blocpdb> 8 atoms in block 127
Block first atom: 901
Blocpdb> 6 atoms in block 128
Block first atom: 909
Blocpdb> 8 atoms in block 129
Block first atom: 915
Blocpdb> 7 atoms in block 130
Block first atom: 923
Blocpdb> 4 atoms in block 131
Block first atom: 930
Blocpdb> 8 atoms in block 132
Block first atom: 934
Blocpdb> 5 atoms in block 133
Block first atom: 942
Blocpdb> 7 atoms in block 134
Block first atom: 947
Blocpdb> 4 atoms in block 135
Block first atom: 954
Blocpdb> 8 atoms in block 136
Block first atom: 958
Blocpdb> 6 atoms in block 137
Block first atom: 966
Blocpdb> 8 atoms in block 138
Block first atom: 972
Blocpdb> 4 atoms in block 139
Block first atom: 980
Blocpdb> 7 atoms in block 140
Block first atom: 984
Blocpdb> 4 atoms in block 141
Block first atom: 991
Blocpdb> 7 atoms in block 142
Block first atom: 995
Blocpdb> 4 atoms in block 143
Block first atom: 1002
Blocpdb> 7 atoms in block 144
Block first atom: 1006
Blocpdb> 7 atoms in block 145
Block first atom: 1013
Blocpdb> 8 atoms in block 146
Block first atom: 1020
Blocpdb> 7 atoms in block 147
Block first atom: 1028
Blocpdb> 7 atoms in block 148
Block first atom: 1035
Blocpdb> 4 atoms in block 149
Block first atom: 1042
Blocpdb> 6 atoms in block 150
Block first atom: 1046
Blocpdb> 7 atoms in block 151
Block first atom: 1052
Blocpdb> 9 atoms in block 152
Block first atom: 1059
Blocpdb> 7 atoms in block 153
Block first atom: 1068
Blocpdb> 8 atoms in block 154
Block first atom: 1075
Blocpdb> 7 atoms in block 155
Block first atom: 1083
Blocpdb> 4 atoms in block 156
Block first atom: 1090
Blocpdb> 8 atoms in block 157
Block first atom: 1094
Blocpdb> 11 atoms in block 158
Block first atom: 1102
Blocpdb> 6 atoms in block 159
Block first atom: 1113
Blocpdb> 10 atoms in block 160
Block first atom: 1119
Blocpdb> 10 atoms in block 161
Block first atom: 1129
Blocpdb> 10 atoms in block 162
Block first atom: 1139
Blocpdb> 10 atoms in block 163
Block first atom: 1149
Blocpdb> 10 atoms in block 164
Block first atom: 1159
Blocpdb> 10 atoms in block 165
Block first atom: 1168
Blocpdb> 165 blocks.
Blocpdb> At most, 14 atoms in each of them.
Blocpdb> At least, 4 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> 260778 matrix lines read.
Prepmat> Matrix order = 3534
Prepmat> Matrix trace = 564100.0000
Prepmat> Last element read: 3534 3534 136.3594
Prepmat> 13696 lines saved.
Prepmat> 12470 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: 1178
RTB> Total mass = 1178.0000
RTB> Number of atoms found in matrix: 1178
RTB> Number of blocks = 165
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 134848.0048
RTB> 41625 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 990
Diagstd> Nb of non-zero elements: 41625
Diagstd> Projected matrix trace = 134848.0048
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 990 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 134848.0048
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 0.0004874 0.0006104 0.0032266 0.0048532
0.0132687 0.0290523 0.0606230 0.1651917 0.2081525
0.2789932 0.4165782 0.4462057 0.4607372 0.5218766
0.5499256 0.5827171 0.7043235 0.7781183 1.0121784
1.0216359 1.1942011 1.2794829 1.4140224 1.4202136
1.5068387 1.6622815 1.7261314 1.9449135 1.9932851
2.2546825 2.5404005 2.5761435 2.6256933 2.7033678
2.7971124 3.0764902 3.1017553 3.1896457 3.5925220
3.9643453 4.0277406 4.0865302 4.2650610 4.7320564
4.8882996 5.1464639 5.3049539 5.4916202 5.6501355
6.0038029 6.4043768 6.5910675 6.7101070 6.9535750
7.0841906 7.6406597 8.0013312 8.1437154 8.4198767
8.7748878 8.8285420 9.5632948 9.7416633 10.0821035
10.4028426 10.5022363 10.7337027 11.0582463 11.1485351
11.4345038 11.6195251 11.8555438 11.9154858 12.0911394
12.4080525 12.4380943 12.6192289 12.7822470 13.5609951
14.0498875 14.1983708 14.3841647 14.8479052 15.1106565
15.3836819 15.6521442 15.7763826 15.9339164 16.0388300
16.5483856 16.7739932 17.3556472 18.0688351 18.2825255
18.3845026 18.8441828 19.1772529 19.7274046 19.8128700
20.1437355
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034327 0.0034335 0.0034337 0.0034340 0.0034341
0.0034342 2.3974940 2.6829634 6.1683356 7.5650301
12.5086348 18.5091097 26.7370745 44.1356323 49.5434351
57.3577507 70.0879784 72.5375386 73.7092390 78.4475165
80.5280616 82.8942000 91.1341988 95.7895427 109.2505930
109.7598110 118.6681075 122.8322850 129.1288906 129.4112765
133.2995434 140.0062950 142.6698519 151.4416828 153.3133571
163.0564468 173.0797957 174.2931454 175.9613484 178.5450656
181.6143827 190.4684494 191.2489448 193.9396027 205.8235192
216.2126087 217.9345208 219.5192631 224.2631437 236.2219415
240.0900646 246.3483995 250.1128965 254.4752374 258.1218164
266.0777086 274.8107495 278.7874109 281.2936977 286.3514271
289.0283212 300.1654542 307.1683075 309.8892944 315.0998136
321.6740799 322.6560209 335.8141972 338.9314243 344.8028565
350.2444763 351.9136993 355.7706043 361.1090814 362.5802821
367.2010724 370.1599857 373.9004784 374.8445129 377.5973122
382.5137861 382.9765677 385.7551113 388.2387523 399.8904750
407.0349518 409.1801307 411.8486100 418.4348740 422.1209886
425.9174423 429.6177337 431.3194023 433.4675061 434.8922036
441.7464791 444.7474963 452.3928024 461.5942151 464.3157063
465.6088459 471.3938741 475.5415599 482.3144313 483.3580712
487.3772865
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1178
Rtb_to_modes> Number of blocs = 165
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9928E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9971E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9985E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.8744E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 6.1043E-04
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.2266E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.8532E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.3269E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.9052E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.0623E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1652
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2082
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.2790
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.4166
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4462
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.4607
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.5219
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.5499
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.5827
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.7043
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.7781
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.012
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.022
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.194
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.279
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.414
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.420
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.507
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.662
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.726
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.945
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.993
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.255
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.540
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.576
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.626
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.703
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.797
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.076
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 3.102
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3.190
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 3.593
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3.964
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 4.028
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 4.087
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 4.265
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 4.732
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 4.888
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 5.146
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 5.305
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 5.492
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 5.650
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 6.004
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 6.404
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 6.591
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 6.710
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 6.954
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 7.084
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 7.641
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 8.001
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 8.144
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 8.420
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 8.775
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 8.829
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 9.563
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 9.742
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 10.08
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 10.40
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 10.50
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 10.73
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 11.06
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 11.15
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 11.43
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 11.62
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 11.86
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 11.92
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 12.09
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 12.41
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 12.44
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 12.62
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 12.78
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 13.56
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 14.05
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 14.20
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 14.38
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 14.85
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 15.11
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 15.38
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 15.65
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 15.78
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 15.93
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 16.04
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 16.55
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 16.77
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 17.36
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 18.07
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 18.28
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 18.38
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 18.84
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 19.18
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 19.73
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 19.81
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 20.14
Rtb_to_modes> 106 vectors, with 990 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99998 1.00001 1.00000 1.00001
1.00000 0.99999 1.00003 0.99997 0.99998
1.00001 1.00001 0.99997 1.00001 1.00002
1.00001 0.99993 0.99998 0.99999 0.99998
1.00001 1.00002 0.99998 1.00005 0.99999
0.99999 1.00001 0.99997 0.99999 1.00003
1.00004 1.00003 1.00001 0.99998 0.99999
0.99996 0.99998 0.99999 1.00000 0.99999
1.00001 0.99999 1.00001 0.99998 1.00002
0.99998 1.00001 1.00001 0.99999 0.99998
1.00002 1.00002 0.99997 0.99998 0.99998
0.99997 1.00001 1.00000 1.00001 1.00000
0.99999 0.99997 0.99997 0.99999 1.00004
1.00000 0.99999 0.99997 1.00001 1.00002
0.99999 1.00000 1.00000 0.99996 1.00001
0.99996 1.00001 1.00000 1.00000 1.00001
0.99999 1.00005 1.00000 0.99997 1.00000
1.00006 0.99999 0.99998 0.99998 1.00002
1.00000 0.99998 0.99999 0.99996 1.00000
1.00000 1.00000 1.00000 1.00002 1.00000
1.00001 1.00001 0.99999 0.99998 0.99998
0.99996
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 21204 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99998 1.00001 1.00000 1.00001
1.00000 0.99999 1.00003 0.99997 0.99998
1.00001 1.00001 0.99997 1.00001 1.00002
1.00001 0.99993 0.99998 0.99999 0.99998
1.00001 1.00002 0.99998 1.00005 0.99999
0.99999 1.00001 0.99997 0.99999 1.00003
1.00004 1.00003 1.00001 0.99998 0.99999
0.99996 0.99998 0.99999 1.00000 0.99999
1.00001 0.99999 1.00001 0.99998 1.00002
0.99998 1.00001 1.00001 0.99999 0.99998
1.00002 1.00002 0.99997 0.99998 0.99998
0.99997 1.00001 1.00000 1.00001 1.00000
0.99999 0.99997 0.99997 0.99999 1.00004
1.00000 0.99999 0.99997 1.00001 1.00002
0.99999 1.00000 1.00000 0.99996 1.00001
0.99996 1.00001 1.00000 1.00000 1.00001
0.99999 1.00005 1.00000 0.99997 1.00000
1.00006 0.99999 0.99998 0.99998 1.00002
1.00000 0.99998 0.99999 0.99996 1.00000
1.00000 1.00000 1.00000 1.00002 1.00000
1.00001 1.00001 0.99999 0.99998 0.99998
0.99996
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> 240129143344768690.eigenfacs
Openam> file on opening on unit 10:
240129143344768690.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240129143344768690.atom
Openam> file on opening on unit 11:
240129143344768690.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 = 165
First residue number = 1
Last residue number = 165
Number of atoms found = 1178
Mean number per residue = 7.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9928E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.8744E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.1043E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.2266E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.8532E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3269E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.9052E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.0623E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1652
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2790
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4166
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4462
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4607
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5499
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5827
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7043
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7781
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.012
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.279
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.414
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.255
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.540
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.576
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.703
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 3.102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 3.593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 4.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 4.087
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 4.265
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 4.732
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 4.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 5.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 5.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 5.492
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 5.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 6.004
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 6.404
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 6.591
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 6.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 6.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 7.084
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 7.641
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 8.001
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 8.144
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 8.420
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 8.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 8.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 9.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 9.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 10.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 10.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 10.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 10.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 11.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 11.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 11.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 11.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 11.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 11.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 12.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 12.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 12.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 12.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 12.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 13.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 14.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 14.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 14.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 14.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 15.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 15.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 15.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 16.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 16.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 16.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 17.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 18.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 18.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 18.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 18.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 19.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 19.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 19.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 20.14
Bfactors> 106 vectors, 3534 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 : 0.000487
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= 0.120 for 165 C-alpha atoms.
Bfactors> = 48.689 +/- 78.39
Bfactors> = 31.435 +/- 4.42
Bfactors> Shiftng-fct= -17.253
Bfactors> Scaling-fct= 0.056
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240129143344768690 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=0
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=100
240129143344768690.eigenfacs
240129143344768690.atom
making animated gifs
11 models are in 240129143344768690.7.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 240129143344768690.7.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 240129143344768690.7.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 240129143344768690 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=0
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=100
240129143344768690.eigenfacs
240129143344768690.atom
making animated gifs
11 models are in 240129143344768690.8.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 240129143344768690.8.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 240129143344768690.8.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 240129143344768690 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=0
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=100
240129143344768690.eigenfacs
240129143344768690.atom
making animated gifs
11 models are in 240129143344768690.9.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 240129143344768690.9.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 240129143344768690.9.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 240129143344768690 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=0
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=100
240129143344768690.eigenfacs
240129143344768690.atom
making animated gifs
11 models are in 240129143344768690.10.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 240129143344768690.10.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 240129143344768690.10.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 240129143344768690 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=-20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=0
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=20
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=40
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=60
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=80
240129143344768690.eigenfacs
240129143344768690.atom
calculating perturbed structure for DQ=100
240129143344768690.eigenfacs
240129143344768690.atom
making animated gifs
11 models are in 240129143344768690.11.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 240129143344768690.11.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 240129143344768690.11.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
240129143344768690.10.pdb
240129143344768690.11.pdb
240129143344768690.7.pdb
240129143344768690.8.pdb
240129143344768690.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m13.238s
user 0m13.230s
sys 0m0.008s
../../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: 240129143344768690.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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