*** NMA_alphafold_2round ***
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 = 2403032333311457577.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 2403032333311457577.atom to be opened.
Openam> File opened: 2403032333311457577.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 = 685
First residue number = 1
Last residue number = 685
Number of atoms found = 5334
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 2.252101 +/- 15.602533 From: -32.562000 To: 42.000000
= -0.992208 +/- 19.618931 From: -48.969000 To: 37.562000
= -0.084467 +/- 14.808277 From: -38.219000 To: 36.375000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.4594 % Filled.
Pdbmat> 1868559 non-zero elements.
Pdbmat> 204354 atom-atom interactions.
Pdbmat> Number per atom= 76.62 +/- 24.12
Maximum number = 129
Minimum number = 7
Pdbmat> Matrix trace = 4.087080E+06
Pdbmat> Larger element = 488.481
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
685 non-zero elements, NRBL set to 4
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2403032333311457577.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2403032333311457577.atom to be opened.
Openam> file on opening on unit 11:
2403032333311457577.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5334 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 685 residues.
Blocpdb> 33 atoms in block 1
Block first atom: 1
Blocpdb> 33 atoms in block 2
Block first atom: 34
Blocpdb> 32 atoms in block 3
Block first atom: 67
Blocpdb> 33 atoms in block 4
Block first atom: 99
Blocpdb> 33 atoms in block 5
Block first atom: 132
Blocpdb> 33 atoms in block 6
Block first atom: 165
Blocpdb> 36 atoms in block 7
Block first atom: 198
Blocpdb> 28 atoms in block 8
Block first atom: 234
Blocpdb> 33 atoms in block 9
Block first atom: 262
Blocpdb> 24 atoms in block 10
Block first atom: 295
Blocpdb> 27 atoms in block 11
Block first atom: 319
Blocpdb> 39 atoms in block 12
Block first atom: 346
Blocpdb> 34 atoms in block 13
Block first atom: 385
Blocpdb> 30 atoms in block 14
Block first atom: 419
Blocpdb> 31 atoms in block 15
Block first atom: 449
Blocpdb> 26 atoms in block 16
Block first atom: 480
Blocpdb> 33 atoms in block 17
Block first atom: 506
Blocpdb> 25 atoms in block 18
Block first atom: 539
Blocpdb> 34 atoms in block 19
Block first atom: 564
Blocpdb> 35 atoms in block 20
Block first atom: 598
Blocpdb> 29 atoms in block 21
Block first atom: 633
Blocpdb> 38 atoms in block 22
Block first atom: 662
Blocpdb> 29 atoms in block 23
Block first atom: 700
Blocpdb> 40 atoms in block 24
Block first atom: 729
Blocpdb> 27 atoms in block 25
Block first atom: 769
Blocpdb> 33 atoms in block 26
Block first atom: 796
Blocpdb> 31 atoms in block 27
Block first atom: 829
Blocpdb> 30 atoms in block 28
Block first atom: 860
Blocpdb> 33 atoms in block 29
Block first atom: 890
Blocpdb> 32 atoms in block 30
Block first atom: 923
Blocpdb> 35 atoms in block 31
Block first atom: 955
Blocpdb> 30 atoms in block 32
Block first atom: 990
Blocpdb> 30 atoms in block 33
Block first atom: 1020
Blocpdb> 28 atoms in block 34
Block first atom: 1050
Blocpdb> 38 atoms in block 35
Block first atom: 1078
Blocpdb> 37 atoms in block 36
Block first atom: 1116
Blocpdb> 32 atoms in block 37
Block first atom: 1153
Blocpdb> 32 atoms in block 38
Block first atom: 1185
Blocpdb> 35 atoms in block 39
Block first atom: 1217
Blocpdb> 29 atoms in block 40
Block first atom: 1252
Blocpdb> 35 atoms in block 41
Block first atom: 1281
Blocpdb> 27 atoms in block 42
Block first atom: 1316
Blocpdb> 28 atoms in block 43
Block first atom: 1343
Blocpdb> 35 atoms in block 44
Block first atom: 1371
Blocpdb> 32 atoms in block 45
Block first atom: 1406
Blocpdb> 35 atoms in block 46
Block first atom: 1438
Blocpdb> 29 atoms in block 47
Block first atom: 1473
Blocpdb> 28 atoms in block 48
Block first atom: 1502
Blocpdb> 33 atoms in block 49
Block first atom: 1530
Blocpdb> 26 atoms in block 50
Block first atom: 1563
Blocpdb> 33 atoms in block 51
Block first atom: 1589
Blocpdb> 34 atoms in block 52
Block first atom: 1622
Blocpdb> 25 atoms in block 53
Block first atom: 1656
Blocpdb> 38 atoms in block 54
Block first atom: 1681
Blocpdb> 35 atoms in block 55
Block first atom: 1719
Blocpdb> 34 atoms in block 56
Block first atom: 1754
Blocpdb> 36 atoms in block 57
Block first atom: 1788
Blocpdb> 34 atoms in block 58
Block first atom: 1824
Blocpdb> 30 atoms in block 59
Block first atom: 1858
Blocpdb> 27 atoms in block 60
Block first atom: 1888
Blocpdb> 32 atoms in block 61
Block first atom: 1915
Blocpdb> 39 atoms in block 62
Block first atom: 1947
Blocpdb> 33 atoms in block 63
Block first atom: 1986
Blocpdb> 25 atoms in block 64
Block first atom: 2019
Blocpdb> 37 atoms in block 65
Block first atom: 2044
Blocpdb> 39 atoms in block 66
Block first atom: 2081
Blocpdb> 31 atoms in block 67
Block first atom: 2120
Blocpdb> 30 atoms in block 68
Block first atom: 2151
Blocpdb> 29 atoms in block 69
Block first atom: 2181
Blocpdb> 31 atoms in block 70
Block first atom: 2210
Blocpdb> 30 atoms in block 71
Block first atom: 2241
Blocpdb> 29 atoms in block 72
Block first atom: 2271
Blocpdb> 35 atoms in block 73
Block first atom: 2300
Blocpdb> 33 atoms in block 74
Block first atom: 2335
Blocpdb> 33 atoms in block 75
Block first atom: 2368
Blocpdb> 34 atoms in block 76
Block first atom: 2401
Blocpdb> 32 atoms in block 77
Block first atom: 2435
Blocpdb> 28 atoms in block 78
Block first atom: 2467
Blocpdb> 34 atoms in block 79
Block first atom: 2495
Blocpdb> 34 atoms in block 80
Block first atom: 2529
Blocpdb> 21 atoms in block 81
Block first atom: 2563
Blocpdb> 18 atoms in block 82
Block first atom: 2584
Blocpdb> 18 atoms in block 83
Block first atom: 2602
Blocpdb> 18 atoms in block 84
Block first atom: 2620
Blocpdb> 18 atoms in block 85
Block first atom: 2638
Blocpdb> 18 atoms in block 86
Block first atom: 2656
Blocpdb> 18 atoms in block 87
Block first atom: 2674
Blocpdb> 18 atoms in block 88
Block first atom: 2692
Blocpdb> 18 atoms in block 89
Block first atom: 2710
Blocpdb> 18 atoms in block 90
Block first atom: 2728
Blocpdb> 22 atoms in block 91
Block first atom: 2746
Blocpdb> 33 atoms in block 92
Block first atom: 2768
Blocpdb> 33 atoms in block 93
Block first atom: 2801
Blocpdb> 32 atoms in block 94
Block first atom: 2834
Blocpdb> 33 atoms in block 95
Block first atom: 2866
Blocpdb> 33 atoms in block 96
Block first atom: 2899
Blocpdb> 33 atoms in block 97
Block first atom: 2932
Blocpdb> 36 atoms in block 98
Block first atom: 2965
Blocpdb> 28 atoms in block 99
Block first atom: 3001
Blocpdb> 33 atoms in block 100
Block first atom: 3029
Blocpdb> 24 atoms in block 101
Block first atom: 3062
Blocpdb> 27 atoms in block 102
Block first atom: 3086
Blocpdb> 39 atoms in block 103
Block first atom: 3113
Blocpdb> 34 atoms in block 104
Block first atom: 3152
Blocpdb> 30 atoms in block 105
Block first atom: 3186
Blocpdb> 31 atoms in block 106
Block first atom: 3216
Blocpdb> 26 atoms in block 107
Block first atom: 3247
Blocpdb> 33 atoms in block 108
Block first atom: 3273
Blocpdb> 25 atoms in block 109
Block first atom: 3306
Blocpdb> 34 atoms in block 110
Block first atom: 3331
Blocpdb> 35 atoms in block 111
Block first atom: 3365
Blocpdb> 29 atoms in block 112
Block first atom: 3400
Blocpdb> 38 atoms in block 113
Block first atom: 3429
Blocpdb> 29 atoms in block 114
Block first atom: 3467
Blocpdb> 40 atoms in block 115
Block first atom: 3496
Blocpdb> 27 atoms in block 116
Block first atom: 3536
Blocpdb> 33 atoms in block 117
Block first atom: 3563
Blocpdb> 31 atoms in block 118
Block first atom: 3596
Blocpdb> 30 atoms in block 119
Block first atom: 3627
Blocpdb> 33 atoms in block 120
Block first atom: 3657
Blocpdb> 32 atoms in block 121
Block first atom: 3690
Blocpdb> 35 atoms in block 122
Block first atom: 3722
Blocpdb> 30 atoms in block 123
Block first atom: 3757
Blocpdb> 30 atoms in block 124
Block first atom: 3787
Blocpdb> 28 atoms in block 125
Block first atom: 3817
Blocpdb> 38 atoms in block 126
Block first atom: 3845
Blocpdb> 37 atoms in block 127
Block first atom: 3883
Blocpdb> 32 atoms in block 128
Block first atom: 3920
Blocpdb> 32 atoms in block 129
Block first atom: 3952
Blocpdb> 35 atoms in block 130
Block first atom: 3984
Blocpdb> 29 atoms in block 131
Block first atom: 4019
Blocpdb> 35 atoms in block 132
Block first atom: 4048
Blocpdb> 27 atoms in block 133
Block first atom: 4083
Blocpdb> 28 atoms in block 134
Block first atom: 4110
Blocpdb> 35 atoms in block 135
Block first atom: 4138
Blocpdb> 32 atoms in block 136
Block first atom: 4173
Blocpdb> 35 atoms in block 137
Block first atom: 4205
Blocpdb> 29 atoms in block 138
Block first atom: 4240
Blocpdb> 28 atoms in block 139
Block first atom: 4269
Blocpdb> 33 atoms in block 140
Block first atom: 4297
Blocpdb> 26 atoms in block 141
Block first atom: 4330
Blocpdb> 33 atoms in block 142
Block first atom: 4356
Blocpdb> 34 atoms in block 143
Block first atom: 4389
Blocpdb> 25 atoms in block 144
Block first atom: 4423
Blocpdb> 38 atoms in block 145
Block first atom: 4448
Blocpdb> 35 atoms in block 146
Block first atom: 4486
Blocpdb> 34 atoms in block 147
Block first atom: 4521
Blocpdb> 36 atoms in block 148
Block first atom: 4555
Blocpdb> 34 atoms in block 149
Block first atom: 4591
Blocpdb> 30 atoms in block 150
Block first atom: 4625
Blocpdb> 27 atoms in block 151
Block first atom: 4655
Blocpdb> 32 atoms in block 152
Block first atom: 4682
Blocpdb> 39 atoms in block 153
Block first atom: 4714
Blocpdb> 33 atoms in block 154
Block first atom: 4753
Blocpdb> 25 atoms in block 155
Block first atom: 4786
Blocpdb> 37 atoms in block 156
Block first atom: 4811
Blocpdb> 39 atoms in block 157
Block first atom: 4848
Blocpdb> 31 atoms in block 158
Block first atom: 4887
Blocpdb> 30 atoms in block 159
Block first atom: 4918
Blocpdb> 29 atoms in block 160
Block first atom: 4948
Blocpdb> 31 atoms in block 161
Block first atom: 4977
Blocpdb> 30 atoms in block 162
Block first atom: 5008
Blocpdb> 29 atoms in block 163
Block first atom: 5038
Blocpdb> 35 atoms in block 164
Block first atom: 5067
Blocpdb> 33 atoms in block 165
Block first atom: 5102
Blocpdb> 33 atoms in block 166
Block first atom: 5135
Blocpdb> 34 atoms in block 167
Block first atom: 5168
Blocpdb> 32 atoms in block 168
Block first atom: 5202
Blocpdb> 28 atoms in block 169
Block first atom: 5234
Blocpdb> 34 atoms in block 170
Block first atom: 5262
Blocpdb> 34 atoms in block 171
Block first atom: 5296
Blocpdb> 5 atoms in block 172
Block first atom: 5329
Blocpdb> 172 blocks.
Blocpdb> At most, 40 atoms in each of them.
Blocpdb> At least, 5 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> 1868731 matrix lines read.
Prepmat> Matrix order = 16002
Prepmat> Matrix trace = 4087080.0000
Prepmat> Last element read: 16002 16002 156.9249
Prepmat> 14879 lines saved.
Prepmat> 13476 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: 5334
RTB> Total mass = 5334.0000
RTB> Number of atoms found in matrix: 5334
RTB> Number of blocks = 172
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 184424.7843
RTB> 47881 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 = 1032
Diagstd> Nb of non-zero elements: 47881
Diagstd> Projected matrix trace = 184424.7843
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1032 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 184424.7843
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 0.0034635 0.0102524 0.0218028 0.0481020
0.0847529 0.1536457 0.1656858 0.1922527 0.2936283
0.3340552 0.3596552 0.4573690 0.5319492 0.6472167
0.6793365 0.7767478 0.8671908 1.0615867 1.1403509
1.2178263 1.3699113 1.5119971 1.6494912 1.6652765
1.8093229 1.8575763 2.2522848 2.5511550 2.6761346
2.7921935 2.9173884 3.0347993 3.3671835 3.5032139
3.5585151 3.6154900 3.9175737 3.9868893 4.4223467
4.7874374 5.0084559 5.2358321 5.4392119 5.6915503
5.8358116 6.2766657 6.4368945 6.6340964 6.8123894
6.9648824 7.2324818 7.6020917 8.4681723 8.6818288
8.9006667 9.5379808 9.9572120 10.5257277 11.0029921
11.0049402 11.5109540 12.2441971 12.8806290 13.2027388
13.7447981 14.3164728 14.3889879 15.0976303 15.2425343
15.5833007 15.7849080 15.9920016 16.5723006 16.9247601
17.2537422 17.5778922 17.8504864 18.9122474 19.0038779
19.4159602 19.8322133 19.9912317 20.2596671 20.4018561
20.9870616 21.4771379 21.7040664 22.4363660 22.4653052
23.2242124 23.3030661 23.7239320 23.9688182 24.5031095
24.9395060 25.1363900 25.4682534 25.7399441 26.0778662
26.3107172
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034322 0.0034324 0.0034336 0.0034340
0.0034345 6.3908031 10.9952994 16.0343389 23.8164462
31.6135029 42.5652851 44.2015949 47.6136552 58.8429214
62.7631006 65.1236093 73.4393156 79.2009477 87.3615144
89.5030354 95.7051483 101.1236197 111.8852977 115.9616875
119.8361804 127.0988154 133.5275120 139.4666234 140.1323657
146.0674061 148.0023499 162.9697264 173.4457663 177.6434736
181.4546215 185.4779998 189.1734850 199.2639212 203.2490894
204.8470369 206.4804138 214.9333808 216.8265036 228.3608627
237.6002170 243.0229050 248.4781104 253.2580568 259.0660890
262.3287637 272.0569213 275.5075325 279.6959435 283.4294751
286.5841553 292.0377247 299.4069182 316.0022126 319.9638318
323.9713084 335.3694527 342.6605892 352.3070594 360.2057827
360.2376685 368.4265667 379.9797356 389.7299802 394.5729376
402.5913715 410.8783869 411.9176532 421.9390037 423.9590108
428.6718902 431.4359277 434.2568643 442.0655597 446.7417499
451.0627175 455.2801107 458.7967232 472.2444370 473.3870744
478.4920394 483.5939648 485.5288673 488.7777554 490.4899579
497.4748149 503.2496521 505.9013460 514.3651526 514.6967682
523.3181266 524.2057901 528.9183274 531.6411526 537.5339271
542.2994999 544.4358732 548.0180485 550.9333716 554.5379933
557.0082448
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5334
Rtb_to_modes> Number of blocs = 172
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: 9.9897E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9897E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9912E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9978E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.4635E-03
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.0252E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.1803E-02
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.8102E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.4753E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1536
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.1657
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.1923
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2936
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3341
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.3597
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4574
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.5319
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.6472
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.6793
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.7767
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.8672
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.062
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.140
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.218
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.370
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.512
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.649
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.665
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.809
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.858
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.252
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.551
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.676
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.792
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.917
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.035
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3.367
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3.503
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 3.559
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.615
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 3.918
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3.987
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 4.422
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 4.787
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.008
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 5.236
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 5.439
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 5.692
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 5.836
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 6.277
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 6.437
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 6.634
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 6.812
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 6.965
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 7.232
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 7.602
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 8.468
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 8.682
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 8.901
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 9.538
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 9.957
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 10.53
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 11.00
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 11.00
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 11.51
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 12.24
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 12.88
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 13.20
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 13.74
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 14.32
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 14.39
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 15.10
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 15.24
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 15.58
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 15.78
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 15.99
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 16.57
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 16.92
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 17.25
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 17.58
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 17.85
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 18.91
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 19.00
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 19.42
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 19.83
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 19.99
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 20.26
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 20.40
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 20.99
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 21.48
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 21.70
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 22.44
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 22.47
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 23.22
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 23.30
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 23.72
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 23.97
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 24.50
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 24.94
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 25.14
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 25.47
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 25.74
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 26.08
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 26.31
Rtb_to_modes> 106 vectors, with 1032 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99998 1.00000 1.00000 1.00000
0.99999 1.00001 0.99999 0.99998 1.00005
1.00002 0.99997 0.99996 0.99997 0.99998
1.00001 0.99999 1.00000 0.99997 1.00001
1.00000 1.00003 1.00001 1.00003 0.99999
1.00000 1.00001 1.00000 1.00001 0.99999
1.00001 1.00000 1.00001 1.00001 0.99995
0.99998 1.00003 1.00001 1.00001 1.00001
1.00000 0.99997 0.99998 0.99997 1.00002
1.00002 1.00000 1.00001 0.99994 0.99998
1.00005 1.00001 0.99998 1.00001 0.99998
0.99997 1.00003 1.00000 0.99998 0.99996
1.00005 1.00001 0.99996 0.99997 1.00000
1.00004 1.00001 0.99997 0.99998 0.99998
0.99998 0.99996 1.00001 0.99999 1.00002
0.99998 1.00001 1.00001 1.00002 1.00002
1.00000 1.00001 1.00001 0.99999 0.99998
1.00002 0.99998 0.99998 1.00000 1.00001
1.00003 1.00000 0.99998 0.99998 1.00000
0.99999 0.99999 1.00001 0.99996 0.99999
1.00000 0.99999 1.00001 0.99999 0.99998
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 96012 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99998 1.00000 1.00000 1.00000
0.99999 1.00001 0.99999 0.99998 1.00005
1.00002 0.99997 0.99996 0.99997 0.99998
1.00001 0.99999 1.00000 0.99997 1.00001
1.00000 1.00003 1.00001 1.00003 0.99999
1.00000 1.00001 1.00000 1.00001 0.99999
1.00001 1.00000 1.00001 1.00001 0.99995
0.99998 1.00003 1.00001 1.00001 1.00001
1.00000 0.99997 0.99998 0.99997 1.00002
1.00002 1.00000 1.00001 0.99994 0.99998
1.00005 1.00001 0.99998 1.00001 0.99998
0.99997 1.00003 1.00000 0.99998 0.99996
1.00005 1.00001 0.99996 0.99997 1.00000
1.00004 1.00001 0.99997 0.99998 0.99998
0.99998 0.99996 1.00001 0.99999 1.00002
0.99998 1.00001 1.00001 1.00002 1.00002
1.00000 1.00001 1.00001 0.99999 0.99998
1.00002 0.99998 0.99998 1.00000 1.00001
1.00003 1.00000 0.99998 0.99998 1.00000
0.99999 0.99999 1.00001 0.99996 0.99999
1.00000 0.99999 1.00001 0.99999 0.99998
1.00001
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> 2403032333311457577.eigenfacs
Openam> file on opening on unit 10:
2403032333311457577.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403032333311457577.atom
Openam> file on opening on unit 11:
2403032333311457577.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 = 685
First residue number = 1
Last residue number = 685
Number of atoms found = 5334
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9897E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9897E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9912E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9978E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.4635E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0252E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.1803E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.8102E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.4753E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1536
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1657
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1923
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2936
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3341
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5319
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6472
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6793
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7767
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.140
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.218
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.512
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.649
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.665
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.809
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.858
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.252
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.676
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.792
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3.367
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 3.559
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 3.918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3.987
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 4.422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 4.787
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 5.236
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 5.439
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 5.692
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 5.836
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 6.277
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 6.437
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 6.634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 6.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 6.965
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 7.232
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 7.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 8.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 8.682
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 8.901
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 9.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 9.957
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 10.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 11.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 11.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 11.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 12.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 12.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 13.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 13.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 14.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 14.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 15.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 15.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 15.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 15.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 16.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 16.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 17.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 17.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 17.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 18.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 19.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 19.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 19.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 20.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 20.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 20.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 21.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 21.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 22.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 22.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 23.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 23.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 23.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 23.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 24.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 24.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 25.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 25.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 25.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 26.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 26.31
Bfactors> 106 vectors, 16002 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 : 0.003463
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= -0.718 for 685 C-alpha atoms.
Bfactors> = 2.457 +/- 12.16
Bfactors> = 89.562 +/- 14.37
Bfactors> Shiftng-fct= 87.104
Bfactors> Scaling-fct= 1.182
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403032333311457577 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=0
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=100
2403032333311457577.eigenfacs
2403032333311457577.atom
making animated gifs
11 models are in 2403032333311457577.7.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 2403032333311457577.7.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 2403032333311457577.7.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 2403032333311457577 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=0
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=100
2403032333311457577.eigenfacs
2403032333311457577.atom
making animated gifs
11 models are in 2403032333311457577.8.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 2403032333311457577.8.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 2403032333311457577.8.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 2403032333311457577 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=0
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=100
2403032333311457577.eigenfacs
2403032333311457577.atom
making animated gifs
11 models are in 2403032333311457577.9.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 2403032333311457577.9.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 2403032333311457577.9.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 2403032333311457577 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=0
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=100
2403032333311457577.eigenfacs
2403032333311457577.atom
making animated gifs
11 models are in 2403032333311457577.10.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 2403032333311457577.10.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 2403032333311457577.10.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 2403032333311457577 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=-20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=0
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=20
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=40
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=60
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=80
2403032333311457577.eigenfacs
2403032333311457577.atom
calculating perturbed structure for DQ=100
2403032333311457577.eigenfacs
2403032333311457577.atom
making animated gifs
11 models are in 2403032333311457577.11.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 2403032333311457577.11.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 2403032333311457577.11.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
2403032333311457577.10.pdb
2403032333311457577.11.pdb
2403032333311457577.7.pdb
2403032333311457577.8.pdb
2403032333311457577.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m24.422s
user 0m24.345s
sys 0m0.076s
../../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: 2403032333311457577.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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