*** ***
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 = 2403170832203568877.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 2403170832203568877.atom to be opened.
Openam> File opened: 2403170832203568877.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 = 292
First residue number = 600
Last residue number = 2005
Number of atoms found = 2388
Mean number per residue = 8.2
Pdbmat> Coordinate statistics:
= -17.414257 +/- 14.172852 From: -50.544000 To: 13.205000
= 34.565913 +/- 9.755475 From: 13.796000 To: 56.533000
= 129.463836 +/- 8.447463 From: 110.457000 To: 152.376000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'PTR ' is not a well known amino-acid.
%Pdbmat-W> 1 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.5112 % Filled.
Pdbmat> 901159 non-zero elements.
Pdbmat> 98554 atom-atom interactions.
Pdbmat> Number per atom= 82.54 +/- 23.30
Maximum number = 134
Minimum number = 16
Pdbmat> Matrix trace = 1.971080E+06
Pdbmat> Larger element = 509.493
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
292 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 = 2403170832203568877.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 2403170832203568877.atom to be opened.
Openam> file on opening on unit 11:
2403170832203568877.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2388 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> 292 residues.
Blocpdb> 18 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 19
Blocpdb> 15 atoms in block 3
Block first atom: 27
Blocpdb> 16 atoms in block 4
Block first atom: 42
Blocpdb> 18 atoms in block 5
Block first atom: 58
Blocpdb> 13 atoms in block 6
Block first atom: 76
Blocpdb> 16 atoms in block 7
Block first atom: 89
Blocpdb> 17 atoms in block 8
Block first atom: 105
Blocpdb> 19 atoms in block 9
Block first atom: 122
Blocpdb> 20 atoms in block 10
Block first atom: 141
Blocpdb> 17 atoms in block 11
Block first atom: 161
Blocpdb> 13 atoms in block 12
Block first atom: 178
Blocpdb> 13 atoms in block 13
Block first atom: 191
Blocpdb> 18 atoms in block 14
Block first atom: 204
Blocpdb> 19 atoms in block 15
Block first atom: 222
Blocpdb> 14 atoms in block 16
Block first atom: 241
Blocpdb> 20 atoms in block 17
Block first atom: 255
Blocpdb> 14 atoms in block 18
Block first atom: 275
Blocpdb> 18 atoms in block 19
Block first atom: 289
Blocpdb> 18 atoms in block 20
Block first atom: 307
Blocpdb> 15 atoms in block 21
Block first atom: 325
Blocpdb> 18 atoms in block 22
Block first atom: 340
Blocpdb> 17 atoms in block 23
Block first atom: 358
Blocpdb> 14 atoms in block 24
Block first atom: 375
Blocpdb> 20 atoms in block 25
Block first atom: 389
Blocpdb> 18 atoms in block 26
Block first atom: 409
Blocpdb> 17 atoms in block 27
Block first atom: 427
Blocpdb> 17 atoms in block 28
Block first atom: 444
Blocpdb> 19 atoms in block 29
Block first atom: 461
Blocpdb> 19 atoms in block 30
Block first atom: 480
Blocpdb> 16 atoms in block 31
Block first atom: 499
Blocpdb> 15 atoms in block 32
Block first atom: 515
Blocpdb> 20 atoms in block 33
Block first atom: 530
Blocpdb> 20 atoms in block 34
Block first atom: 550
Blocpdb> 18 atoms in block 35
Block first atom: 570
Blocpdb> 17 atoms in block 36
Block first atom: 588
Blocpdb> 15 atoms in block 37
Block first atom: 605
Blocpdb> 16 atoms in block 38
Block first atom: 620
Blocpdb> 12 atoms in block 39
Block first atom: 636
Blocpdb> 9 atoms in block 40
Block first atom: 648
Blocpdb> 14 atoms in block 41
Block first atom: 657
Blocpdb> 20 atoms in block 42
Block first atom: 671
Blocpdb> 13 atoms in block 43
Block first atom: 691
Blocpdb> 18 atoms in block 44
Block first atom: 704
Blocpdb> 16 atoms in block 45
Block first atom: 722
Blocpdb> 15 atoms in block 46
Block first atom: 738
Blocpdb> 18 atoms in block 47
Block first atom: 753
Blocpdb> 18 atoms in block 48
Block first atom: 771
Blocpdb> 21 atoms in block 49
Block first atom: 789
Blocpdb> 13 atoms in block 50
Block first atom: 810
Blocpdb> 14 atoms in block 51
Block first atom: 823
Blocpdb> 11 atoms in block 52
Block first atom: 837
Blocpdb> 19 atoms in block 53
Block first atom: 848
Blocpdb> 16 atoms in block 54
Block first atom: 867
Blocpdb> 15 atoms in block 55
Block first atom: 883
Blocpdb> 19 atoms in block 56
Block first atom: 898
Blocpdb> 25 atoms in block 57
Block first atom: 917
Blocpdb> 22 atoms in block 58
Block first atom: 942
Blocpdb> 18 atoms in block 59
Block first atom: 964
Blocpdb> 14 atoms in block 60
Block first atom: 982
Blocpdb> 14 atoms in block 61
Block first atom: 996
Blocpdb> 15 atoms in block 62
Block first atom: 1010
Blocpdb> 14 atoms in block 63
Block first atom: 1025
Blocpdb> 17 atoms in block 64
Block first atom: 1039
Blocpdb> 18 atoms in block 65
Block first atom: 1056
Blocpdb> 12 atoms in block 66
Block first atom: 1074
Blocpdb> 19 atoms in block 67
Block first atom: 1086
Blocpdb> 15 atoms in block 68
Block first atom: 1105
Blocpdb> 14 atoms in block 69
Block first atom: 1120
Blocpdb> 26 atoms in block 70
Block first atom: 1134
Blocpdb> 13 atoms in block 71
Block first atom: 1160
Blocpdb> 18 atoms in block 72
Block first atom: 1173
Blocpdb> 11 atoms in block 73
Block first atom: 1191
Blocpdb> 16 atoms in block 74
Block first atom: 1202
Blocpdb> 15 atoms in block 75
Block first atom: 1218
Blocpdb> 15 atoms in block 76
Block first atom: 1233
Blocpdb> 14 atoms in block 77
Block first atom: 1248
Blocpdb> 17 atoms in block 78
Block first atom: 1262
Blocpdb> 17 atoms in block 79
Block first atom: 1279
Blocpdb> 19 atoms in block 80
Block first atom: 1296
Blocpdb> 17 atoms in block 81
Block first atom: 1315
Blocpdb> 15 atoms in block 82
Block first atom: 1332
Blocpdb> 20 atoms in block 83
Block first atom: 1347
Blocpdb> 17 atoms in block 84
Block first atom: 1367
Blocpdb> 17 atoms in block 85
Block first atom: 1384
Blocpdb> 16 atoms in block 86
Block first atom: 1401
Blocpdb> 15 atoms in block 87
Block first atom: 1417
Blocpdb> 18 atoms in block 88
Block first atom: 1432
Blocpdb> 18 atoms in block 89
Block first atom: 1450
Blocpdb> 12 atoms in block 90
Block first atom: 1468
Blocpdb> 15 atoms in block 91
Block first atom: 1480
Blocpdb> 16 atoms in block 92
Block first atom: 1495
Blocpdb> 17 atoms in block 93
Block first atom: 1511
Blocpdb> 17 atoms in block 94
Block first atom: 1528
Blocpdb> 18 atoms in block 95
Block first atom: 1545
Blocpdb> 20 atoms in block 96
Block first atom: 1563
Blocpdb> 15 atoms in block 97
Block first atom: 1583
Blocpdb> 14 atoms in block 98
Block first atom: 1598
Blocpdb> 14 atoms in block 99
Block first atom: 1612
Blocpdb> 17 atoms in block 100
Block first atom: 1626
Blocpdb> 17 atoms in block 101
Block first atom: 1643
Blocpdb> 16 atoms in block 102
Block first atom: 1660
Blocpdb> 17 atoms in block 103
Block first atom: 1676
Blocpdb> 19 atoms in block 104
Block first atom: 1693
Blocpdb> 22 atoms in block 105
Block first atom: 1712
Blocpdb> 15 atoms in block 106
Block first atom: 1734
Blocpdb> 16 atoms in block 107
Block first atom: 1749
Blocpdb> 14 atoms in block 108
Block first atom: 1765
Blocpdb> 22 atoms in block 109
Block first atom: 1779
Blocpdb> 10 atoms in block 110
Block first atom: 1801
Blocpdb> 15 atoms in block 111
Block first atom: 1811
Blocpdb> 14 atoms in block 112
Block first atom: 1826
Blocpdb> 16 atoms in block 113
Block first atom: 1840
Blocpdb> 11 atoms in block 114
Block first atom: 1856
Blocpdb> 11 atoms in block 115
Block first atom: 1867
Blocpdb> 15 atoms in block 116
Block first atom: 1878
Blocpdb> 11 atoms in block 117
Block first atom: 1893
Blocpdb> 19 atoms in block 118
Block first atom: 1904
Blocpdb> 12 atoms in block 119
Block first atom: 1923
Blocpdb> 16 atoms in block 120
Block first atom: 1935
Blocpdb> 5 atoms in block 121
Block first atom: 1951
Blocpdb> 17 atoms in block 122
Block first atom: 1956
Blocpdb> 12 atoms in block 123
Block first atom: 1973
Blocpdb> 14 atoms in block 124
Block first atom: 1985
Blocpdb> 17 atoms in block 125
Block first atom: 1999
Blocpdb> 16 atoms in block 126
Block first atom: 2016
Blocpdb> 15 atoms in block 127
Block first atom: 2032
Blocpdb> 16 atoms in block 128
Block first atom: 2047
Blocpdb> 19 atoms in block 129
Block first atom: 2063
Blocpdb> 16 atoms in block 130
Block first atom: 2082
Blocpdb> 19 atoms in block 131
Block first atom: 2098
Blocpdb> 20 atoms in block 132
Block first atom: 2117
Blocpdb> 17 atoms in block 133
Block first atom: 2137
Blocpdb> 8 atoms in block 134
Block first atom: 2154
Blocpdb> 16 atoms in block 135
Block first atom: 2162
Blocpdb> 16 atoms in block 136
Block first atom: 2178
Blocpdb> 14 atoms in block 137
Block first atom: 2194
Blocpdb> 20 atoms in block 138
Block first atom: 2208
Blocpdb> 16 atoms in block 139
Block first atom: 2228
Blocpdb> 19 atoms in block 140
Block first atom: 2244
Blocpdb> 13 atoms in block 141
Block first atom: 2263
Blocpdb> 16 atoms in block 142
Block first atom: 2276
Blocpdb> 20 atoms in block 143
Block first atom: 2292
Blocpdb> 20 atoms in block 144
Block first atom: 2312
Blocpdb> 13 atoms in block 145
Block first atom: 2332
Blocpdb> 7 atoms in block 146
Block first atom: 2345
Blocpdb> 14 atoms in block 147
Block first atom: 2352
Blocpdb> 23 atoms in block 148
Block first atom: 2365
Blocpdb> 148 blocks.
Blocpdb> At most, 26 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> 901307 matrix lines read.
Prepmat> Matrix order = 7164
Prepmat> Matrix trace = 1971080.0000
Prepmat> Last element read: 7164 7164 256.4878
Prepmat> 11027 lines saved.
Prepmat> 9390 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: 2388
RTB> Total mass = 2388.0000
RTB> Number of atoms found in matrix: 2388
RTB> Number of blocks = 148
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 206499.3195
RTB> 56676 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 = 888
Diagstd> Nb of non-zero elements: 56676
Diagstd> Projected matrix trace = 206499.3195
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 888 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 206499.3195
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 3.7767725 4.3623350 5.7051418 7.0914323
8.4679241 8.5615663 9.1691485 10.5871582 11.5451502
12.1830418 12.9506978 13.4908456 13.7829138 14.9168947
15.9246860 16.1024974 16.5437017 17.6086619 18.3535499
18.9393368 19.9383961 21.0047483 21.2458705 22.3249640
22.8283018 23.7077958 24.7505759 24.9206906 25.8418624
26.7500009 27.9732088 29.2896358 29.7403932 30.0081429
31.2397132 31.4147441 31.9137539 32.9426105 33.6856539
34.5070886 35.9431810 36.1253024 37.3685833 37.9372486
38.9054036 39.1452535 39.4943237 40.2648346 41.5612825
42.3891278 43.3296674 43.5444950 43.7848908 44.4327289
45.0919761 45.6949868 46.0297986 46.5069907 47.7685135
48.3786878 48.6878654 49.9787782 50.5056627 50.9693561
51.2456743 51.5471062 52.5113390 53.8630778 54.6339210
55.1390175 55.6711871 56.7164719 56.8767108 58.2098703
58.8555615 58.9915107 60.1048885 61.2027578 61.8853004
62.0047045 62.8585806 63.5201344 63.8050728 64.9886869
65.9268505 66.0811481 66.5463857 67.4514651 67.7353621
68.7615958 68.9317244 70.0296376 70.4397302 71.5280392
71.7123005 71.8108172 72.9323481 73.0553333 73.1477227
73.6265939
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034323 0.0034338 0.0034345 0.0034346
0.0034349 211.0355862 226.8061302 259.3752309 289.1760091
315.9975809 317.7400009 328.8211806 353.3336350 368.9734134
379.0296177 390.7885815 398.8548397 403.1491985 419.4058577
433.3419358 435.7545178 441.6839577 455.6784155 465.2167246
472.5825307 484.8868318 497.6843918 500.5328035 513.0865895
518.8383656 528.7384202 540.2414901 542.0948943 552.0230158
561.6389010 574.3365083 587.6953653 592.2003139 594.8601006
606.9442476 608.6421761 613.4571408 623.2672195 630.2571358
637.8953549 651.0337978 652.6810836 663.8173467 668.8491746
677.3298929 679.4145377 682.4370879 689.0619038 700.0672328
707.0050574 714.8056190 716.5754240 718.5506981 723.8469912
729.1970693 734.0566175 736.7409637 740.5500229 750.5266945
755.3049352 757.7145861 767.6939144 771.7298827 775.2644220
777.3630365 779.6459459 786.9041333 796.9679623 802.6504723
806.3522308 810.2341079 817.8052305 818.9596726 828.5020668
833.0844608 834.0460679 841.8799728 849.5340226 854.2579558
855.0816791 860.9492763 865.4679395 867.4069241 875.4153578
881.7113768 882.7425687 885.8445478 891.8482697 893.7231524
900.4679378 901.5812096 908.7328332 911.3897130 918.4033100
919.5854853 920.2169209 927.3749876 928.1565705 928.7432814
931.7783924
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2388
Rtb_to_modes> Number of blocs = 148
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: 9.9866E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9906E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.777
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.362
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.705
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.091
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.468
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.562
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 9.169
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 10.59
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 11.55
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 12.18
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.95
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.49
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.78
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 14.92
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 15.92
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 16.10
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 16.54
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.61
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.35
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 18.94
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 19.94
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 21.00
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 21.25
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 22.32
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 22.83
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 23.71
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 24.75
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 24.92
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 25.84
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 26.75
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 27.97
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 29.29
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 29.74
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 30.01
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 31.24
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 31.41
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 31.91
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 32.94
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 33.69
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 34.51
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 35.94
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 36.13
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 37.37
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 37.94
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 38.91
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 39.15
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 39.49
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 40.26
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 41.56
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 42.39
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 43.33
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 43.54
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 43.78
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 44.43
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 45.09
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 45.69
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 46.03
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 46.51
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 47.77
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 48.38
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 48.69
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 49.98
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 50.51
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 50.97
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 51.25
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 51.55
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 52.51
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 53.86
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 54.63
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 55.14
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 55.67
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 56.72
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 56.88
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 58.21
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 58.86
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 58.99
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 60.10
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 61.20
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 61.89
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 62.00
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 62.86
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 63.52
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 63.81
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 64.99
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 65.93
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 66.08
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 66.55
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 67.45
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 67.74
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 68.76
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 68.93
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 70.03
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 70.44
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 71.53
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 71.71
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 71.81
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 72.93
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 73.06
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 73.15
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 73.63
Rtb_to_modes> 106 vectors, with 888 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
0.99999 1.00001 0.99999 1.00000 1.00003
0.99999 1.00003 0.99997 0.99998 1.00002
1.00002 1.00001 1.00001 1.00002 0.99999
1.00001 1.00002 1.00001 1.00002 0.99999
0.99996 1.00000 1.00000 0.99998 1.00002
1.00000 1.00001 0.99998 1.00004 1.00000
1.00002 0.99999 1.00001 0.99999 1.00000
1.00000 1.00003 0.99999 0.99998 0.99999
1.00003 0.99999 0.99998 0.99997 1.00002
0.99998 1.00000 0.99998 1.00004 1.00002
0.99998 0.99997 1.00001 0.99999 0.99999
1.00000 0.99997 1.00004 1.00000 1.00001
1.00001 0.99998 1.00002 1.00000 1.00003
1.00000 1.00003 0.99999 1.00002 1.00001
0.99998 1.00000 0.99999 0.99999 0.99999
1.00001 1.00000 1.00001 1.00000 1.00000
0.99999 0.99999 0.99998 0.99997 1.00001
1.00000 1.00003 0.99998 0.99998 0.99999
1.00000 1.00003 0.99999 0.99999 1.00001
0.99998 1.00000 0.99998 1.00000 0.99998
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 42984 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
0.99999 1.00001 0.99999 1.00000 1.00003
0.99999 1.00003 0.99997 0.99998 1.00002
1.00002 1.00001 1.00001 1.00002 0.99999
1.00001 1.00002 1.00001 1.00002 0.99999
0.99996 1.00000 1.00000 0.99998 1.00002
1.00000 1.00001 0.99998 1.00004 1.00000
1.00002 0.99999 1.00001 0.99999 1.00000
1.00000 1.00003 0.99999 0.99998 0.99999
1.00003 0.99999 0.99998 0.99997 1.00002
0.99998 1.00000 0.99998 1.00004 1.00002
0.99998 0.99997 1.00001 0.99999 0.99999
1.00000 0.99997 1.00004 1.00000 1.00001
1.00001 0.99998 1.00002 1.00000 1.00003
1.00000 1.00003 0.99999 1.00002 1.00001
0.99998 1.00000 0.99999 0.99999 0.99999
1.00001 1.00000 1.00001 1.00000 1.00000
0.99999 0.99999 0.99998 0.99997 1.00001
1.00000 1.00003 0.99998 0.99998 0.99999
1.00000 1.00003 0.99999 0.99999 1.00001
0.99998 1.00000 0.99998 1.00000 0.99998
0.99999
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> 2403170832203568877.eigenfacs
Openam> file on opening on unit 10:
2403170832203568877.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403170832203568877.atom
Openam> file on opening on unit 11:
2403170832203568877.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 = 292
First residue number = 600
Last residue number = 2005
Number of atoms found = 2388
Mean number per residue = 8.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9866E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9906E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.777
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 9.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 10.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 11.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 12.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 14.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 15.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 16.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 21.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 21.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 22.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 22.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 23.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 24.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 24.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 25.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 26.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 27.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 29.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 29.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 30.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 31.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 31.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 31.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 32.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 33.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 34.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 35.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 36.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 37.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 37.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 38.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 39.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 39.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 40.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 41.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 42.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 43.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 43.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 43.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 44.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 45.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 45.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 46.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 46.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 47.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 48.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 48.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 49.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 50.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 50.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 51.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 51.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 52.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 53.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 54.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 55.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 55.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 56.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 56.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 58.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 58.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 58.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 60.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 61.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 61.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 62.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 62.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 63.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 63.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 64.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 65.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 66.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 66.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 67.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 67.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 68.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 68.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 70.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 70.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 71.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 71.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 71.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 72.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 73.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 73.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 73.63
Bfactors> 106 vectors, 7164 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 : 3.777000
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= 0.418 for 292 C-alpha atoms.
Bfactors> = 0.023 +/- 0.03
Bfactors> = 76.875 +/- 9.15
Bfactors> Shiftng-fct= 76.852
Bfactors> Scaling-fct= 328.628
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403170832203568877 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=0
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=100
2403170832203568877.eigenfacs
2403170832203568877.atom
making animated gifs
11 models are in 2403170832203568877.7.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 2403170832203568877.7.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 2403170832203568877.7.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 2403170832203568877 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=0
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=100
2403170832203568877.eigenfacs
2403170832203568877.atom
making animated gifs
11 models are in 2403170832203568877.8.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 2403170832203568877.8.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 2403170832203568877.8.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 2403170832203568877 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=0
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=100
2403170832203568877.eigenfacs
2403170832203568877.atom
making animated gifs
11 models are in 2403170832203568877.9.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 2403170832203568877.9.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 2403170832203568877.9.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 2403170832203568877 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=0
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=100
2403170832203568877.eigenfacs
2403170832203568877.atom
making animated gifs
11 models are in 2403170832203568877.10.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 2403170832203568877.10.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 2403170832203568877.10.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 2403170832203568877 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=-20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=0
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=20
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=40
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=60
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=80
2403170832203568877.eigenfacs
2403170832203568877.atom
calculating perturbed structure for DQ=100
2403170832203568877.eigenfacs
2403170832203568877.atom
making animated gifs
11 models are in 2403170832203568877.11.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 2403170832203568877.11.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 2403170832203568877.11.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
2403170832203568877.10.pdb
2403170832203568877.11.pdb
2403170832203568877.7.pdb
2403170832203568877.8.pdb
2403170832203568877.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m11.637s
user 0m11.605s
sys 0m0.032s
../../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: 2403170832203568877.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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