*** ***
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 = 240322152211123579.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 240322152211123579.atom to be opened.
Openam> File opened: 240322152211123579.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 = 305
First residue number = 26
Last residue number = 330
Number of atoms found = 2312
Mean number per residue = 7.6
Pdbmat> Coordinate statistics:
= -1.827624 +/- 12.787947 From: -32.938000 To: 28.719000
= -1.702908 +/- 10.329639 From: -31.125000 To: 24.281000
= 0.444640 +/- 12.059786 From: -33.156000 To: 31.031000
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 3.3581 % Filled.
Pdbmat> 807870 non-zero elements.
Pdbmat> 88327 atom-atom interactions.
Pdbmat> Number per atom= 76.41 +/- 22.78
Maximum number = 122
Minimum number = 9
Pdbmat> Matrix trace = 1.766540E+06
Pdbmat> Larger element = 472.376
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
305 non-zero elements, NRBL set to 2
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 = 240322152211123579.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 240322152211123579.atom to be opened.
Openam> file on opening on unit 11:
240322152211123579.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2312 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 305 residues.
Blocpdb> 17 atoms in block 1
Block first atom: 1
Blocpdb> 18 atoms in block 2
Block first atom: 18
Blocpdb> 12 atoms in block 3
Block first atom: 36
Blocpdb> 14 atoms in block 4
Block first atom: 48
Blocpdb> 19 atoms in block 5
Block first atom: 62
Blocpdb> 16 atoms in block 6
Block first atom: 81
Blocpdb> 16 atoms in block 7
Block first atom: 97
Blocpdb> 12 atoms in block 8
Block first atom: 113
Blocpdb> 19 atoms in block 9
Block first atom: 125
Blocpdb> 18 atoms in block 10
Block first atom: 144
Blocpdb> 11 atoms in block 11
Block first atom: 162
Blocpdb> 12 atoms in block 12
Block first atom: 173
Blocpdb> 16 atoms in block 13
Block first atom: 185
Blocpdb> 15 atoms in block 14
Block first atom: 201
Blocpdb> 19 atoms in block 15
Block first atom: 216
Blocpdb> 16 atoms in block 16
Block first atom: 235
Blocpdb> 15 atoms in block 17
Block first atom: 251
Blocpdb> 15 atoms in block 18
Block first atom: 266
Blocpdb> 14 atoms in block 19
Block first atom: 281
Blocpdb> 17 atoms in block 20
Block first atom: 295
Blocpdb> 10 atoms in block 21
Block first atom: 312
Blocpdb> 16 atoms in block 22
Block first atom: 322
Blocpdb> 19 atoms in block 23
Block first atom: 338
Blocpdb> 16 atoms in block 24
Block first atom: 357
Blocpdb> 11 atoms in block 25
Block first atom: 373
Blocpdb> 16 atoms in block 26
Block first atom: 384
Blocpdb> 16 atoms in block 27
Block first atom: 400
Blocpdb> 15 atoms in block 28
Block first atom: 416
Blocpdb> 12 atoms in block 29
Block first atom: 431
Blocpdb> 12 atoms in block 30
Block first atom: 443
Blocpdb> 11 atoms in block 31
Block first atom: 455
Blocpdb> 18 atoms in block 32
Block first atom: 466
Blocpdb> 15 atoms in block 33
Block first atom: 484
Blocpdb> 14 atoms in block 34
Block first atom: 499
Blocpdb> 16 atoms in block 35
Block first atom: 513
Blocpdb> 17 atoms in block 36
Block first atom: 529
Blocpdb> 18 atoms in block 37
Block first atom: 546
Blocpdb> 13 atoms in block 38
Block first atom: 564
Blocpdb> 12 atoms in block 39
Block first atom: 577
Blocpdb> 15 atoms in block 40
Block first atom: 589
Blocpdb> 13 atoms in block 41
Block first atom: 604
Blocpdb> 15 atoms in block 42
Block first atom: 617
Blocpdb> 13 atoms in block 43
Block first atom: 632
Blocpdb> 13 atoms in block 44
Block first atom: 645
Blocpdb> 15 atoms in block 45
Block first atom: 658
Blocpdb> 15 atoms in block 46
Block first atom: 673
Blocpdb> 13 atoms in block 47
Block first atom: 688
Blocpdb> 16 atoms in block 48
Block first atom: 701
Blocpdb> 11 atoms in block 49
Block first atom: 717
Blocpdb> 15 atoms in block 50
Block first atom: 728
Blocpdb> 18 atoms in block 51
Block first atom: 743
Blocpdb> 19 atoms in block 52
Block first atom: 761
Blocpdb> 17 atoms in block 53
Block first atom: 780
Blocpdb> 13 atoms in block 54
Block first atom: 797
Blocpdb> 16 atoms in block 55
Block first atom: 810
Blocpdb> 16 atoms in block 56
Block first atom: 826
Blocpdb> 20 atoms in block 57
Block first atom: 842
Blocpdb> 15 atoms in block 58
Block first atom: 862
Blocpdb> 15 atoms in block 59
Block first atom: 877
Blocpdb> 15 atoms in block 60
Block first atom: 892
Blocpdb> 18 atoms in block 61
Block first atom: 907
Blocpdb> 15 atoms in block 62
Block first atom: 925
Blocpdb> 18 atoms in block 63
Block first atom: 940
Blocpdb> 20 atoms in block 64
Block first atom: 958
Blocpdb> 13 atoms in block 65
Block first atom: 978
Blocpdb> 17 atoms in block 66
Block first atom: 991
Blocpdb> 13 atoms in block 67
Block first atom: 1008
Blocpdb> 17 atoms in block 68
Block first atom: 1021
Blocpdb> 15 atoms in block 69
Block first atom: 1038
Blocpdb> 22 atoms in block 70
Block first atom: 1053
Blocpdb> 12 atoms in block 71
Block first atom: 1075
Blocpdb> 9 atoms in block 72
Block first atom: 1087
Blocpdb> 14 atoms in block 73
Block first atom: 1096
Blocpdb> 14 atoms in block 74
Block first atom: 1110
Blocpdb> 15 atoms in block 75
Block first atom: 1124
Blocpdb> 13 atoms in block 76
Block first atom: 1139
Blocpdb> 20 atoms in block 77
Block first atom: 1152
Blocpdb> 17 atoms in block 78
Block first atom: 1172
Blocpdb> 16 atoms in block 79
Block first atom: 1189
Blocpdb> 15 atoms in block 80
Block first atom: 1205
Blocpdb> 21 atoms in block 81
Block first atom: 1220
Blocpdb> 19 atoms in block 82
Block first atom: 1241
Blocpdb> 12 atoms in block 83
Block first atom: 1260
Blocpdb> 13 atoms in block 84
Block first atom: 1272
Blocpdb> 15 atoms in block 85
Block first atom: 1285
Blocpdb> 11 atoms in block 86
Block first atom: 1300
Blocpdb> 10 atoms in block 87
Block first atom: 1311
Blocpdb> 12 atoms in block 88
Block first atom: 1321
Blocpdb> 13 atoms in block 89
Block first atom: 1333
Blocpdb> 15 atoms in block 90
Block first atom: 1346
Blocpdb> 10 atoms in block 91
Block first atom: 1361
Blocpdb> 19 atoms in block 92
Block first atom: 1371
Blocpdb> 23 atoms in block 93
Block first atom: 1390
Blocpdb> 20 atoms in block 94
Block first atom: 1413
Blocpdb> 11 atoms in block 95
Block first atom: 1433
Blocpdb> 12 atoms in block 96
Block first atom: 1444
Blocpdb> 19 atoms in block 97
Block first atom: 1456
Blocpdb> 15 atoms in block 98
Block first atom: 1475
Blocpdb> 12 atoms in block 99
Block first atom: 1490
Blocpdb> 14 atoms in block 100
Block first atom: 1502
Blocpdb> 13 atoms in block 101
Block first atom: 1516
Blocpdb> 13 atoms in block 102
Block first atom: 1529
Blocpdb> 21 atoms in block 103
Block first atom: 1542
Blocpdb> 16 atoms in block 104
Block first atom: 1563
Blocpdb> 15 atoms in block 105
Block first atom: 1579
Blocpdb> 12 atoms in block 106
Block first atom: 1594
Blocpdb> 13 atoms in block 107
Block first atom: 1606
Blocpdb> 20 atoms in block 108
Block first atom: 1619
Blocpdb> 15 atoms in block 109
Block first atom: 1639
Blocpdb> 15 atoms in block 110
Block first atom: 1654
Blocpdb> 17 atoms in block 111
Block first atom: 1669
Blocpdb> 18 atoms in block 112
Block first atom: 1686
Blocpdb> 9 atoms in block 113
Block first atom: 1704
Blocpdb> 18 atoms in block 114
Block first atom: 1713
Blocpdb> 13 atoms in block 115
Block first atom: 1731
Blocpdb> 17 atoms in block 116
Block first atom: 1744
Blocpdb> 16 atoms in block 117
Block first atom: 1761
Blocpdb> 15 atoms in block 118
Block first atom: 1777
Blocpdb> 13 atoms in block 119
Block first atom: 1792
Blocpdb> 14 atoms in block 120
Block first atom: 1805
Blocpdb> 22 atoms in block 121
Block first atom: 1819
Blocpdb> 18 atoms in block 122
Block first atom: 1841
Blocpdb> 14 atoms in block 123
Block first atom: 1859
Blocpdb> 15 atoms in block 124
Block first atom: 1873
Blocpdb> 16 atoms in block 125
Block first atom: 1888
Blocpdb> 14 atoms in block 126
Block first atom: 1904
Blocpdb> 13 atoms in block 127
Block first atom: 1918
Blocpdb> 14 atoms in block 128
Block first atom: 1931
Blocpdb> 12 atoms in block 129
Block first atom: 1945
Blocpdb> 17 atoms in block 130
Block first atom: 1957
Blocpdb> 12 atoms in block 131
Block first atom: 1974
Blocpdb> 16 atoms in block 132
Block first atom: 1986
Blocpdb> 22 atoms in block 133
Block first atom: 2002
Blocpdb> 19 atoms in block 134
Block first atom: 2024
Blocpdb> 18 atoms in block 135
Block first atom: 2043
Blocpdb> 13 atoms in block 136
Block first atom: 2061
Blocpdb> 17 atoms in block 137
Block first atom: 2074
Blocpdb> 10 atoms in block 138
Block first atom: 2091
Blocpdb> 9 atoms in block 139
Block first atom: 2101
Blocpdb> 18 atoms in block 140
Block first atom: 2110
Blocpdb> 15 atoms in block 141
Block first atom: 2128
Blocpdb> 12 atoms in block 142
Block first atom: 2143
Blocpdb> 16 atoms in block 143
Block first atom: 2155
Blocpdb> 21 atoms in block 144
Block first atom: 2171
Blocpdb> 8 atoms in block 145
Block first atom: 2192
Blocpdb> 16 atoms in block 146
Block first atom: 2200
Blocpdb> 15 atoms in block 147
Block first atom: 2216
Blocpdb> 17 atoms in block 148
Block first atom: 2231
Blocpdb> 11 atoms in block 149
Block first atom: 2248
Blocpdb> 13 atoms in block 150
Block first atom: 2259
Blocpdb> 22 atoms in block 151
Block first atom: 2272
Blocpdb> 15 atoms in block 152
Block first atom: 2294
Blocpdb> 4 atoms in block 153
Block first atom: 2308
Blocpdb> 153 blocks.
Blocpdb> At most, 23 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> 808023 matrix lines read.
Prepmat> Matrix order = 6936
Prepmat> Matrix trace = 1766540.0000
Prepmat> Last element read: 6936 6936 206.1375
Prepmat> 11782 lines saved.
Prepmat> 10181 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: 2312
RTB> Total mass = 2312.0000
RTB> Number of atoms found in matrix: 2312
RTB> Number of blocks = 153
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 197589.6032
RTB> 55305 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 = 918
Diagstd> Nb of non-zero elements: 55305
Diagstd> Projected matrix trace = 197589.6032
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 918 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 197589.6032
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 1.0733375 1.6897100 2.1791490 3.1803258
3.5347008 5.3897528 6.4980527 7.4841773 7.7850006
8.5967147 9.1909534 10.6834592 10.8110365 11.5691798
11.8049412 12.6324707 13.1233507 13.4131907 14.0561245
14.5170263 16.0181913 16.4969227 16.7485040 17.5058937
18.1317935 18.7465200 19.2404845 19.3322012 20.5733116
20.7639407 21.3810903 21.9494492 22.3476145 23.7022391
24.2787381 24.3805268 24.6741080 25.8453859 26.0321468
26.9544764 27.0745104 27.5055608 28.3975372 28.5707100
29.8880077 30.5068063 31.0241343 31.5590640 31.6752232
32.8879363 33.0046345 33.5429275 33.8775060 34.2830819
35.1390980 36.0025630 36.1059019 37.0681806 37.4224274
37.8618088 38.4597179 38.9021191 40.0935634 40.4180820
40.6281455 41.9259811 42.2457296 42.4556084 42.7513701
43.6800666 44.1747180 44.6635356 44.7664645 45.7973485
45.9809478 47.6791738 48.4686803 48.9138848 49.6881543
49.7728540 50.9378847 51.3848023 52.0307385 52.2144767
52.3582548 52.7792406 53.3260916 53.9095863 55.1381874
55.9674497 56.5284146 56.7213659 57.0003662 57.3440189
57.7363431 58.4618469 58.6256980 58.8416468 59.7910281
60.4897857
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034332 0.0034338 0.0034341 0.0034349
0.0034356 112.5028236 141.1566562 160.3019279 193.6560571
204.1604491 252.1039817 276.8132621 297.0758263 302.9874252
318.3915533 329.2119276 354.9369625 357.0499260 369.3571975
373.1016719 385.9574514 393.3848657 397.7052560 407.1252875
413.7462900 434.6123056 441.0590622 444.4094553 454.3467476
462.3976970 470.1707532 476.3248971 477.4588345 492.5466648
494.8233327 502.1231036 508.7531292 513.3468074 528.6764530
535.0672079 536.1876705 539.4062960 552.0606476 554.0516758
563.7813822 565.0353075 569.5154792 578.6761968 580.4379466
593.6681689 599.7823103 604.8464224 610.0386305 611.1602819
622.7497927 623.8536844 628.9205162 632.0493600 635.8214984
643.7104878 651.5713646 652.5058042 661.1437785 664.2954193
668.1838269 673.4390988 677.3013010 687.5948398 690.3719386
692.1636373 703.1320553 705.8081807 707.5592532 710.0195373
717.6900512 721.7423229 725.7245753 726.5603245 734.8783410
736.3499133 749.8245248 756.0071066 759.4712855 765.4586103
766.1107431 775.0250386 778.4175611 783.2948577 784.6766788
785.7562814 788.9088880 792.9853377 797.3119623 806.3461614
812.3871387 816.4482886 817.8405134 819.8494378 822.3171417
825.1253250 830.2933239 831.4560420 832.9859758 839.6789981
844.5712685
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2312
Rtb_to_modes> Number of blocs = 153
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: 9.9954E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.073
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.690
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.179
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.180
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 3.535
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.390
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 6.498
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.484
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.785
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.597
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 9.191
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.68
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 10.81
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 11.57
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 11.80
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 12.63
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.12
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 13.41
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 14.06
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 14.52
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 16.02
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 16.50
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 16.75
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 17.51
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 18.13
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 18.75
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 19.24
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 19.33
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 20.57
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 20.76
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 21.38
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 21.95
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 22.35
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 23.70
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 24.28
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 24.38
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 24.67
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 25.85
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 26.03
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 26.95
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 27.07
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 27.51
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 28.40
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 28.57
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 29.89
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 30.51
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 31.02
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 31.56
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 31.68
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 32.89
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 33.00
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 33.54
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 33.88
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 34.28
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 35.14
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 36.00
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 36.11
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 37.07
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 37.42
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 37.86
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 38.46
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 38.90
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 40.09
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 40.42
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 40.63
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 41.93
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 42.25
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 42.46
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 42.75
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 43.68
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 44.17
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 44.66
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 44.77
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 45.80
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 45.98
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 47.68
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 48.47
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 48.91
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 49.69
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 49.77
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 50.94
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 51.38
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 52.03
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 52.21
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 52.36
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 52.78
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 53.33
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 53.91
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 55.14
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 55.97
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 56.53
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 56.72
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 57.00
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 57.34
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 57.74
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 58.46
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 58.63
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 58.84
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 59.79
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 60.49
Rtb_to_modes> 106 vectors, with 918 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 0.99998 1.00001 1.00000
1.00000 1.00002 0.99996 1.00002 1.00000
0.99999 0.99999 0.99998 0.99998 1.00001
0.99999 0.99999 1.00003 1.00000 1.00000
1.00002 0.99998 1.00000 1.00000 1.00000
0.99999 1.00000 0.99999 1.00002 1.00000
0.99999 1.00000 0.99999 1.00000 1.00000
1.00000 0.99999 1.00003 1.00001 1.00000
1.00000 1.00000 1.00004 1.00001 1.00001
0.99999 1.00001 0.99999 0.99998 0.99998
1.00000 1.00000 1.00002 0.99997 1.00002
1.00000 1.00001 1.00000 1.00001 1.00000
1.00002 1.00001 1.00000 1.00000 0.99998
0.99998 1.00001 1.00000 1.00001 0.99999
0.99998 1.00001 0.99999 1.00002 1.00000
1.00000 1.00002 0.99998 0.99995 1.00001
0.99999 1.00000 0.99998 0.99998 1.00002
1.00002 1.00000 1.00001 1.00001 1.00002
1.00002 0.99999 1.00000 1.00001 1.00001
1.00003 0.99999 1.00003 1.00001 0.99999
1.00001 1.00000 1.00001 1.00003 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 41616 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 0.99998 1.00001 1.00000
1.00000 1.00002 0.99996 1.00002 1.00000
0.99999 0.99999 0.99998 0.99998 1.00001
0.99999 0.99999 1.00003 1.00000 1.00000
1.00002 0.99998 1.00000 1.00000 1.00000
0.99999 1.00000 0.99999 1.00002 1.00000
0.99999 1.00000 0.99999 1.00000 1.00000
1.00000 0.99999 1.00003 1.00001 1.00000
1.00000 1.00000 1.00004 1.00001 1.00001
0.99999 1.00001 0.99999 0.99998 0.99998
1.00000 1.00000 1.00002 0.99997 1.00002
1.00000 1.00001 1.00000 1.00001 1.00000
1.00002 1.00001 1.00000 1.00000 0.99998
0.99998 1.00001 1.00000 1.00001 0.99999
0.99998 1.00001 0.99999 1.00002 1.00000
1.00000 1.00002 0.99998 0.99995 1.00001
0.99999 1.00000 0.99998 0.99998 1.00002
1.00002 1.00000 1.00001 1.00001 1.00002
1.00002 0.99999 1.00000 1.00001 1.00001
1.00003 0.99999 1.00003 1.00001 0.99999
1.00001 1.00000 1.00001 1.00003 1.00002
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5: 0.000-0.000 0.000-0.000
Vector 6:-0.000 0.000 0.000-0.000 0.000
Vector 7:-0.000 0.000-0.000 0.000 0.000-0.000
Vector 8:-0.000-0.000-0.000 0.000-0.000-0.000 0.000
Vector 9:-0.000 0.000-0.000-0.000-0.000-0.000 0.000-0.000
Vector 10: 0.000-0.000-0.000-0.000 0.000 0.000-0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 240322152211123579.eigenfacs
Openam> file on opening on unit 10:
240322152211123579.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240322152211123579.atom
Openam> file on opening on unit 11:
240322152211123579.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 = 305
First residue number = 26
Last residue number = 330
Number of atoms found = 2312
Mean number per residue = 7.6
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: 9.9954E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.690
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.179
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.180
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 3.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.390
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 6.498
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.785
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 9.191
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 10.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 11.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 11.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 12.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 13.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 14.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 14.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 16.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 16.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 16.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 17.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 18.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 18.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 19.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 19.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 20.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 20.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 21.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 21.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 22.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 23.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 24.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 24.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 24.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 25.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 26.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 26.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 27.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 27.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 28.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 28.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 29.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 30.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 31.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 31.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 31.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 32.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 33.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 33.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 33.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 34.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 35.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 36.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 36.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 37.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 37.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 37.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 38.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 38.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 40.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 40.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 40.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 41.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 42.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 42.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 42.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 43.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 44.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 44.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 44.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 45.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 45.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 47.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 48.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 48.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 49.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 49.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 50.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 51.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 52.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 52.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 52.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 52.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 53.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 53.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 55.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 55.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 56.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 56.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 57.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 57.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 57.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 58.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 58.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 58.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 59.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 60.49
Bfactors> 106 vectors, 6936 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 : 1.073000
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= -0.773 for 305 C-alpha atoms.
Bfactors> = 0.035 +/- 0.04
Bfactors> = 89.549 +/- 10.04
Bfactors> Shiftng-fct= 89.514
Bfactors> Scaling-fct= 255.850
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240322152211123579 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=0
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=100
240322152211123579.eigenfacs
240322152211123579.atom
making animated gifs
11 models are in 240322152211123579.7.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 240322152211123579.7.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 240322152211123579.7.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 240322152211123579 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=0
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=100
240322152211123579.eigenfacs
240322152211123579.atom
making animated gifs
11 models are in 240322152211123579.8.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 240322152211123579.8.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 240322152211123579.8.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 240322152211123579 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=0
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=100
240322152211123579.eigenfacs
240322152211123579.atom
making animated gifs
11 models are in 240322152211123579.9.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 240322152211123579.9.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 240322152211123579.9.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 240322152211123579 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=0
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=100
240322152211123579.eigenfacs
240322152211123579.atom
making animated gifs
11 models are in 240322152211123579.10.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 240322152211123579.10.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 240322152211123579.10.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 240322152211123579 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=-20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=0
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=20
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=40
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=60
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=80
240322152211123579.eigenfacs
240322152211123579.atom
calculating perturbed structure for DQ=100
240322152211123579.eigenfacs
240322152211123579.atom
making animated gifs
11 models are in 240322152211123579.11.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 240322152211123579.11.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 240322152211123579.11.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
240322152211123579.10.pdb
240322152211123579.11.pdb
240322152211123579.7.pdb
240322152211123579.8.pdb
240322152211123579.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m12.593s
user 0m12.524s
sys 0m0.048s
../../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: 240322152211123579.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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