Should you encounter any unexpected behaviour,
please let us know.

* 5WGD_A *

LOGs for ID: 2404102226553446872

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     = 2404102226553446872.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 2404102226553446872.atom to be opened.

 Openam> File opened: 2404102226553446872.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 =    228
            First residue number     =    308
            Last  residue number     =    547
            Number of atoms found    =   1808
            Mean number per residue  =      7.9

 Pdbmat> Coordinate statistics: 
 =    52.251796 +/-    12.950139 From:    21.419000 To:    79.547000
 =     0.722086 +/-    10.099156 From:   -22.132000 To:    25.463000
 =    60.971132 +/-     6.986497 From:    44.191000 To:    77.699000
 Pdbmat> Masses are all set to one.

 Openam> File opened: pdbmat.xyzm
 Pdbmat> Coordinates and masses considered are saved.

 Openam> File opened: pdbmat.sdijb

 Pdbmat> Matrix statistics:

 Pdbmat> The matrix is   4.4388 % Filled.
 Pdbmat>       653062  non-zero elements.
 Pdbmat>        71366 atom-atom interactions.

 Pdbmat> Number per atom=     78.94 +/-     20.50
         Maximum number =    128
         Minimum number =     25

 Pdbmat> Matrix trace   = 1.427320E+06
 Pdbmat> Larger element =  496.794    
 Pdbmat>      0 elements larger than +/-  1.0E+10

 Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
228 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     = 2404102226553446872.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 2404102226553446872.atom to be opened.

 Openam> file on opening on unit     11:
 2404102226553446872.atom                                                                                                        

 Blocpdb> Coordinate file in PDB format.

 Blocpdb>  1808 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>   228 residues.
 Blocpdb>    13 atoms in block      1
 Block first atom:      1
 Blocpdb>    12 atoms in block      2
 Block first atom:     14
 Blocpdb>    13 atoms in block      3
 Block first atom:     26
 Blocpdb>    17 atoms in block      4
 Block first atom:     39
 Blocpdb>    13 atoms in block      5
 Block first atom:     56
 Blocpdb>    13 atoms in block      6
 Block first atom:     69
 Blocpdb>    16 atoms in block      7
 Block first atom:     82
 Blocpdb>    14 atoms in block      8
 Block first atom:     98
 Blocpdb>    14 atoms in block      9
 Block first atom:    112
 Blocpdb>    16 atoms in block     10
 Block first atom:    126
 Blocpdb>    18 atoms in block     11
 Block first atom:    142
 Blocpdb>    21 atoms in block     12
 Block first atom:    160
 Blocpdb>    15 atoms in block     13
 Block first atom:    181
 Blocpdb>    12 atoms in block     14
 Block first atom:    196
 Blocpdb>    18 atoms in block     15
 Block first atom:    208
 Blocpdb>    15 atoms in block     16
 Block first atom:    226
 Blocpdb>    11 atoms in block     17
 Block first atom:    241
 Blocpdb>    16 atoms in block     18
 Block first atom:    252
 Blocpdb>    12 atoms in block     19
 Block first atom:    268
 Blocpdb>    15 atoms in block     20
 Block first atom:    280
 Blocpdb>    16 atoms in block     21
 Block first atom:    295
 Blocpdb>    13 atoms in block     22
 Block first atom:    311
 Blocpdb>    20 atoms in block     23
 Block first atom:    324
 Blocpdb>    15 atoms in block     24
 Block first atom:    344
 Blocpdb>    18 atoms in block     25
 Block first atom:    359
 Blocpdb>    16 atoms in block     26
 Block first atom:    377
 Blocpdb>    19 atoms in block     27
 Block first atom:    393
 Blocpdb>    18 atoms in block     28
 Block first atom:    412
 Blocpdb>    14 atoms in block     29
 Block first atom:    430
 Blocpdb>    15 atoms in block     30
 Block first atom:    444
 Blocpdb>    15 atoms in block     31
 Block first atom:    459
 Blocpdb>    15 atoms in block     32
 Block first atom:    474
 Blocpdb>    18 atoms in block     33
 Block first atom:    489
 Blocpdb>    17 atoms in block     34
 Block first atom:    507
 Blocpdb>    17 atoms in block     35
 Block first atom:    524
 Blocpdb>    16 atoms in block     36
 Block first atom:    541
 Blocpdb>    21 atoms in block     37
 Block first atom:    557
 Blocpdb>    19 atoms in block     38
 Block first atom:    578
 Blocpdb>    17 atoms in block     39
 Block first atom:    597
 Blocpdb>    16 atoms in block     40
 Block first atom:    614
 Blocpdb>    16 atoms in block     41
 Block first atom:    630
 Blocpdb>    12 atoms in block     42
 Block first atom:    646
 Blocpdb>    21 atoms in block     43
 Block first atom:    658
 Blocpdb>    17 atoms in block     44
 Block first atom:    679
 Blocpdb>    13 atoms in block     45
 Block first atom:    696
 Blocpdb>    17 atoms in block     46
 Block first atom:    709
 Blocpdb>    13 atoms in block     47
 Block first atom:    726
 Blocpdb>    16 atoms in block     48
 Block first atom:    739
 Blocpdb>    16 atoms in block     49
 Block first atom:    755
 Blocpdb>    15 atoms in block     50
 Block first atom:    771
 Blocpdb>    16 atoms in block     51
 Block first atom:    786
 Blocpdb>    16 atoms in block     52
 Block first atom:    802
 Blocpdb>    19 atoms in block     53
 Block first atom:    818
 Blocpdb>    13 atoms in block     54
 Block first atom:    837
 Blocpdb>    15 atoms in block     55
 Block first atom:    850
 Blocpdb>    12 atoms in block     56
 Block first atom:    865
 Blocpdb>    12 atoms in block     57
 Block first atom:    877
 Blocpdb>    12 atoms in block     58
 Block first atom:    889
 Blocpdb>    19 atoms in block     59
 Block first atom:    901
 Blocpdb>    16 atoms in block     60
 Block first atom:    920
 Blocpdb>    16 atoms in block     61
 Block first atom:    936
 Blocpdb>    12 atoms in block     62
 Block first atom:    952
 Blocpdb>    12 atoms in block     63
 Block first atom:    964
 Blocpdb>    22 atoms in block     64
 Block first atom:    976
 Blocpdb>    16 atoms in block     65
 Block first atom:    998
 Blocpdb>    16 atoms in block     66
 Block first atom:   1014
 Blocpdb>    17 atoms in block     67
 Block first atom:   1030
 Blocpdb>    13 atoms in block     68
 Block first atom:   1047
 Blocpdb>    20 atoms in block     69
 Block first atom:   1060
 Blocpdb>    13 atoms in block     70
 Block first atom:   1080
 Blocpdb>    17 atoms in block     71
 Block first atom:   1093
 Blocpdb>    20 atoms in block     72
 Block first atom:   1110
 Blocpdb>    16 atoms in block     73
 Block first atom:   1130
 Blocpdb>    16 atoms in block     74
 Block first atom:   1146
 Blocpdb>    10 atoms in block     75
 Block first atom:   1162
 Blocpdb>    16 atoms in block     76
 Block first atom:   1172
 Blocpdb>     7 atoms in block     77
 Block first atom:   1188
 Blocpdb>    15 atoms in block     78
 Block first atom:   1195
 Blocpdb>    18 atoms in block     79
 Block first atom:   1210
 Blocpdb>    18 atoms in block     80
 Block first atom:   1228
 Blocpdb>    16 atoms in block     81
 Block first atom:   1246
 Blocpdb>    17 atoms in block     82
 Block first atom:   1262
 Blocpdb>    15 atoms in block     83
 Block first atom:   1279
 Blocpdb>    15 atoms in block     84
 Block first atom:   1294
 Blocpdb>    18 atoms in block     85
 Block first atom:   1309
 Blocpdb>    16 atoms in block     86
 Block first atom:   1327
 Blocpdb>    10 atoms in block     87
 Block first atom:   1343
 Blocpdb>     9 atoms in block     88
 Block first atom:   1353
 Blocpdb>    23 atoms in block     89
 Block first atom:   1362
 Blocpdb>    17 atoms in block     90
 Block first atom:   1385
 Blocpdb>    18 atoms in block     91
 Block first atom:   1402
 Blocpdb>    19 atoms in block     92
 Block first atom:   1420
 Blocpdb>    19 atoms in block     93
 Block first atom:   1439
 Blocpdb>    14 atoms in block     94
 Block first atom:   1458
 Blocpdb>    16 atoms in block     95
 Block first atom:   1472
 Blocpdb>    16 atoms in block     96
 Block first atom:   1488
 Blocpdb>    17 atoms in block     97
 Block first atom:   1504
 Blocpdb>    18 atoms in block     98
 Block first atom:   1521
 Blocpdb>    21 atoms in block     99
 Block first atom:   1539
 Blocpdb>    14 atoms in block    100
 Block first atom:   1560
 Blocpdb>    17 atoms in block    101
 Block first atom:   1574
 Blocpdb>    12 atoms in block    102
 Block first atom:   1591
 Blocpdb>    19 atoms in block    103
 Block first atom:   1603
 Blocpdb>    20 atoms in block    104
 Block first atom:   1622
 Blocpdb>    20 atoms in block    105
 Block first atom:   1642
 Blocpdb>    15 atoms in block    106
 Block first atom:   1662
 Blocpdb>    17 atoms in block    107
 Block first atom:   1677
 Blocpdb>    14 atoms in block    108
 Block first atom:   1694
 Blocpdb>    15 atoms in block    109
 Block first atom:   1708
 Blocpdb>    14 atoms in block    110
 Block first atom:   1723
 Blocpdb>    16 atoms in block    111
 Block first atom:   1737
 Blocpdb>    17 atoms in block    112
 Block first atom:   1753
 Blocpdb>    16 atoms in block    113
 Block first atom:   1770
 Blocpdb>    13 atoms in block    114
 Block first atom:   1786
 Blocpdb>    10 atoms in block    115
 Block first atom:   1798

 Blocpdb>   115 blocks.

 Blocpdb> At most,     23 atoms in each of them.
 Blocpdb> At least,     7 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>       653177 matrix lines read.

 Prepmat> Matrix order    =       5424

 Prepmat> Matrix trace    =    1427320.0000
 Prepmat> Last element read:    5424   5424       314.4333
 Prepmat>         6671 lines saved.
 Prepmat>         5465 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:  1808
 RTB> Total mass =        1808.0000
 RTB> Number of atoms found in matrix:  1808
 RTB> Number of blocks =   115
 RTB> Projection begins.
 RTB> Projected matrix is being saved.
 RTB> Projected matrix trace =  150943.6565
 RTB>     41655 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 =      690
 Diagstd> Nb of non-zero elements:    41655
 Diagstd> Projected matrix trace =  150943.6565

 Openam> file on opening on unit     11:
 diagrtb_work.eigenfacs                  
 Diagstd> Diagonalization.

 Diagstd>    690 eigenvectors are computed. 
 Diagstd>    106 of them to be saved. 

 Diagstd> Sum of eigenvalues = 150943.6565
 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      3.4451534      4.5499140      5.3573035      6.3256573
      8.1072926      9.7539573     11.3592702     12.1965441     13.0940835
     13.7034497     14.2519937     15.2653449     16.8673805     18.6992925
     19.1931579     21.2116235     21.3744119     22.7278146     23.3241409
     23.8288718     24.8595273     25.8060322     26.3837834     27.4663869
     28.7851773     29.7288354     31.0015026     32.0244481     33.4198777
     34.0082315     34.9418105     35.4233697     35.9722612     37.1882021
     38.2086523     38.8419578     39.9652689     40.3954430     41.2305739
     42.1343108     42.6376749     44.7312942     45.3857092     45.9174657
     47.0044385     47.5339680     47.6237121     49.1319500     49.7632148
     51.0120312     52.4482121     52.7434512     53.2349922     54.7133881
     55.4994698     56.0830429     56.6995754     58.0137780     59.3364240
     59.5123821     60.3989467     60.9555597     62.6692237     63.4365785
     64.5084644     65.2902487     66.3431349     66.7897282     67.8678242
     68.1178789     68.2743263     69.0377826     70.9246018     71.4551137
     72.1565598     73.2938001     73.4131940     74.4757359     74.5970866
     75.0546266     76.3342408     76.5377739     77.5433039     78.5350977
     78.8034602     80.1148222     81.1847332     81.5659371     82.5471451
     83.1860211     83.9174485     84.7915976     85.4598566     85.6376224
     86.4062726     86.7291312     87.5230279     88.9301842     89.7280001
     90.4907334

 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
      0.0034326      0.0034329      0.0034333      0.0034334      0.0034351
      0.0034354    201.5577782    231.6311019    251.3439323    273.1166092
    309.1955277    339.1452231    365.9910748    379.2395961    392.9459653
    401.9853587    409.9520776    424.2761226    445.9838186    469.5781362
    475.7387188    500.1292268    502.0446778    517.6951774    524.4427773
    530.0868376    541.4292489    551.6401880    557.7811290    569.1097776
    582.6124144    592.0852315    604.6257683    614.5201212    627.7658815
    633.2676521    641.9008963    646.3090189    651.2971078    662.2132581
    671.2373900    676.7773821    686.4938486    690.1785664    697.2764065
    704.8768180    709.0747769    726.2748614    731.5682405    735.8414284
    744.5000220    748.6818679    749.3882900    761.1623195    766.0365551
    775.5889066    786.4309995    788.6413647    792.3077019    803.2340028
    808.9835622    813.2256434    817.6834043    827.1053966    836.4807767
    837.7201222    843.9368736    847.8166515    859.6515248    864.8985237
    872.1749963    877.4440670    884.4907080    887.4627197    894.5966000
    896.2431272    897.2717449    902.2745283    914.5211070    917.9350171
    922.4295131    929.6701781    930.4270756    937.1361303    937.8993039
    940.7712017    948.7569616    950.0209745    956.2411542    962.3369792
    963.9797790    971.9674403    978.4360918    980.7305308    986.6118086
    990.4224052    994.7671052    999.9348141   1003.8674212   1004.9109553
   1009.4107272   1011.2948098   1015.9128352   1024.0469686   1028.6302081
   1032.9928946

 Diagstd> Normal end.

 Rtb_to_modes> Entering in.

 Rtb_to_modes> Number of atoms in temporary block-file =   1808
 Rtb_to_modes> Number of blocs =    115

 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:  9.9918E-10

 Rdmodfacs> Eigenvector number:     2
 Rdmodfacs> Corresponding eigenvalue:  9.9936E-10

 Rdmodfacs> Eigenvector number:     3
 Rdmodfacs> Corresponding eigenvalue:  9.9964E-10

 Rdmodfacs> Eigenvector number:     4
 Rdmodfacs> Corresponding eigenvalue:  9.9969E-10

 Rdmodfacs> Eigenvector number:     5
 Rdmodfacs> Corresponding eigenvalue:  1.0007E-09

 Rdmodfacs> Eigenvector number:     6
 Rdmodfacs> Corresponding eigenvalue:  1.0008E-09

 Rdmodfacs> Eigenvector number:     7
 Rdmodfacs> Corresponding eigenvalue:   3.445    

 Rdmodfacs> Eigenvector number:     8
 Rdmodfacs> Corresponding eigenvalue:   4.550    

 Rdmodfacs> Eigenvector number:     9
 Rdmodfacs> Corresponding eigenvalue:   5.357    

 Rdmodfacs> Eigenvector number:    10
 Rdmodfacs> Corresponding eigenvalue:   6.326    

 Rdmodfacs> Eigenvector number:    11
 Rdmodfacs> Corresponding eigenvalue:   8.107    

 Rdmodfacs> Eigenvector number:    12
 Rdmodfacs> Corresponding eigenvalue:   9.754    

 Rdmodfacs> Eigenvector number:    13
 Rdmodfacs> Corresponding eigenvalue:   11.36    

 Rdmodfacs> Eigenvector number:    14
 Rdmodfacs> Corresponding eigenvalue:   12.20    

 Rdmodfacs> Eigenvector number:    15
 Rdmodfacs> Corresponding eigenvalue:   13.09    

 Rdmodfacs> Eigenvector number:    16
 Rdmodfacs> Corresponding eigenvalue:   13.70    

 Rdmodfacs> Eigenvector number:    17
 Rdmodfacs> Corresponding eigenvalue:   14.25    

 Rdmodfacs> Eigenvector number:    18
 Rdmodfacs> Corresponding eigenvalue:   15.27    

 Rdmodfacs> Eigenvector number:    19
 Rdmodfacs> Corresponding eigenvalue:   16.87    

 Rdmodfacs> Eigenvector number:    20
 Rdmodfacs> Corresponding eigenvalue:   18.70    

 Rdmodfacs> Eigenvector number:    21
 Rdmodfacs> Corresponding eigenvalue:   19.19    

 Rdmodfacs> Eigenvector number:    22
 Rdmodfacs> Corresponding eigenvalue:   21.21    

 Rdmodfacs> Eigenvector number:    23
 Rdmodfacs> Corresponding eigenvalue:   21.37    

 Rdmodfacs> Eigenvector number:    24
 Rdmodfacs> Corresponding eigenvalue:   22.73    

 Rdmodfacs> Eigenvector number:    25
 Rdmodfacs> Corresponding eigenvalue:   23.32    

 Rdmodfacs> Eigenvector number:    26
 Rdmodfacs> Corresponding eigenvalue:   23.83    

 Rdmodfacs> Eigenvector number:    27
 Rdmodfacs> Corresponding eigenvalue:   24.86    

 Rdmodfacs> Eigenvector number:    28
 Rdmodfacs> Corresponding eigenvalue:   25.81    

 Rdmodfacs> Eigenvector number:    29
 Rdmodfacs> Corresponding eigenvalue:   26.38    

 Rdmodfacs> Eigenvector number:    30
 Rdmodfacs> Corresponding eigenvalue:   27.47    

 Rdmodfacs> Eigenvector number:    31
 Rdmodfacs> Corresponding eigenvalue:   28.79    

 Rdmodfacs> Eigenvector number:    32
 Rdmodfacs> Corresponding eigenvalue:   29.73    

 Rdmodfacs> Eigenvector number:    33
 Rdmodfacs> Corresponding eigenvalue:   31.00    

 Rdmodfacs> Eigenvector number:    34
 Rdmodfacs> Corresponding eigenvalue:   32.02    

 Rdmodfacs> Eigenvector number:    35
 Rdmodfacs> Corresponding eigenvalue:   33.42    

 Rdmodfacs> Eigenvector number:    36
 Rdmodfacs> Corresponding eigenvalue:   34.01    

 Rdmodfacs> Eigenvector number:    37
 Rdmodfacs> Corresponding eigenvalue:   34.94    

 Rdmodfacs> Eigenvector number:    38
 Rdmodfacs> Corresponding eigenvalue:   35.42    

 Rdmodfacs> Eigenvector number:    39
 Rdmodfacs> Corresponding eigenvalue:   35.97    

 Rdmodfacs> Eigenvector number:    40
 Rdmodfacs> Corresponding eigenvalue:   37.19    

 Rdmodfacs> Eigenvector number:    41
 Rdmodfacs> Corresponding eigenvalue:   38.21    

 Rdmodfacs> Eigenvector number:    42
 Rdmodfacs> Corresponding eigenvalue:   38.84    

 Rdmodfacs> Eigenvector number:    43
 Rdmodfacs> Corresponding eigenvalue:   39.97    

 Rdmodfacs> Eigenvector number:    44
 Rdmodfacs> Corresponding eigenvalue:   40.40    

 Rdmodfacs> Eigenvector number:    45
 Rdmodfacs> Corresponding eigenvalue:   41.23    

 Rdmodfacs> Eigenvector number:    46
 Rdmodfacs> Corresponding eigenvalue:   42.13    

 Rdmodfacs> Eigenvector number:    47
 Rdmodfacs> Corresponding eigenvalue:   42.64    

 Rdmodfacs> Eigenvector number:    48
 Rdmodfacs> Corresponding eigenvalue:   44.73    

 Rdmodfacs> Eigenvector number:    49
 Rdmodfacs> Corresponding eigenvalue:   45.39    

 Rdmodfacs> Eigenvector number:    50
 Rdmodfacs> Corresponding eigenvalue:   45.92    

 Rdmodfacs> Eigenvector number:    51
 Rdmodfacs> Corresponding eigenvalue:   47.00    

 Rdmodfacs> Eigenvector number:    52
 Rdmodfacs> Corresponding eigenvalue:   47.53    

 Rdmodfacs> Eigenvector number:    53
 Rdmodfacs> Corresponding eigenvalue:   47.62    

 Rdmodfacs> Eigenvector number:    54
 Rdmodfacs> Corresponding eigenvalue:   49.13    

 Rdmodfacs> Eigenvector number:    55
 Rdmodfacs> Corresponding eigenvalue:   49.76    

 Rdmodfacs> Eigenvector number:    56
 Rdmodfacs> Corresponding eigenvalue:   51.01    

 Rdmodfacs> Eigenvector number:    57
 Rdmodfacs> Corresponding eigenvalue:   52.45    

 Rdmodfacs> Eigenvector number:    58
 Rdmodfacs> Corresponding eigenvalue:   52.74    

 Rdmodfacs> Eigenvector number:    59
 Rdmodfacs> Corresponding eigenvalue:   53.23    

 Rdmodfacs> Eigenvector number:    60
 Rdmodfacs> Corresponding eigenvalue:   54.71    

 Rdmodfacs> Eigenvector number:    61
 Rdmodfacs> Corresponding eigenvalue:   55.50    

 Rdmodfacs> Eigenvector number:    62
 Rdmodfacs> Corresponding eigenvalue:   56.08    

 Rdmodfacs> Eigenvector number:    63
 Rdmodfacs> Corresponding eigenvalue:   56.70    

 Rdmodfacs> Eigenvector number:    64
 Rdmodfacs> Corresponding eigenvalue:   58.01    

 Rdmodfacs> Eigenvector number:    65
 Rdmodfacs> Corresponding eigenvalue:   59.34    

 Rdmodfacs> Eigenvector number:    66
 Rdmodfacs> Corresponding eigenvalue:   59.51    

 Rdmodfacs> Eigenvector number:    67
 Rdmodfacs> Corresponding eigenvalue:   60.40    

 Rdmodfacs> Eigenvector number:    68
 Rdmodfacs> Corresponding eigenvalue:   60.96    

 Rdmodfacs> Eigenvector number:    69
 Rdmodfacs> Corresponding eigenvalue:   62.67    

 Rdmodfacs> Eigenvector number:    70
 Rdmodfacs> Corresponding eigenvalue:   63.44    

 Rdmodfacs> Eigenvector number:    71
 Rdmodfacs> Corresponding eigenvalue:   64.51    

 Rdmodfacs> Eigenvector number:    72
 Rdmodfacs> Corresponding eigenvalue:   65.29    

 Rdmodfacs> Eigenvector number:    73
 Rdmodfacs> Corresponding eigenvalue:   66.34    

 Rdmodfacs> Eigenvector number:    74
 Rdmodfacs> Corresponding eigenvalue:   66.79    

 Rdmodfacs> Eigenvector number:    75
 Rdmodfacs> Corresponding eigenvalue:   67.87    

 Rdmodfacs> Eigenvector number:    76
 Rdmodfacs> Corresponding eigenvalue:   68.12    

 Rdmodfacs> Eigenvector number:    77
 Rdmodfacs> Corresponding eigenvalue:   68.27    

 Rdmodfacs> Eigenvector number:    78
 Rdmodfacs> Corresponding eigenvalue:   69.04    

 Rdmodfacs> Eigenvector number:    79
 Rdmodfacs> Corresponding eigenvalue:   70.92    

 Rdmodfacs> Eigenvector number:    80
 Rdmodfacs> Corresponding eigenvalue:   71.46    

 Rdmodfacs> Eigenvector number:    81
 Rdmodfacs> Corresponding eigenvalue:   72.16    

 Rdmodfacs> Eigenvector number:    82
 Rdmodfacs> Corresponding eigenvalue:   73.29    

 Rdmodfacs> Eigenvector number:    83
 Rdmodfacs> Corresponding eigenvalue:   73.41    

 Rdmodfacs> Eigenvector number:    84
 Rdmodfacs> Corresponding eigenvalue:   74.48    

 Rdmodfacs> Eigenvector number:    85
 Rdmodfacs> Corresponding eigenvalue:   74.60    

 Rdmodfacs> Eigenvector number:    86
 Rdmodfacs> Corresponding eigenvalue:   75.05    

 Rdmodfacs> Eigenvector number:    87
 Rdmodfacs> Corresponding eigenvalue:   76.33    

 Rdmodfacs> Eigenvector number:    88
 Rdmodfacs> Corresponding eigenvalue:   76.54    

 Rdmodfacs> Eigenvector number:    89
 Rdmodfacs> Corresponding eigenvalue:   77.54    

 Rdmodfacs> Eigenvector number:    90
 Rdmodfacs> Corresponding eigenvalue:   78.54    

 Rdmodfacs> Eigenvector number:    91
 Rdmodfacs> Corresponding eigenvalue:   78.80    

 Rdmodfacs> Eigenvector number:    92
 Rdmodfacs> Corresponding eigenvalue:   80.11    

 Rdmodfacs> Eigenvector number:    93
 Rdmodfacs> Corresponding eigenvalue:   81.18    

 Rdmodfacs> Eigenvector number:    94
 Rdmodfacs> Corresponding eigenvalue:   81.57    

 Rdmodfacs> Eigenvector number:    95
 Rdmodfacs> Corresponding eigenvalue:   82.55    

 Rdmodfacs> Eigenvector number:    96
 Rdmodfacs> Corresponding eigenvalue:   83.19    

 Rdmodfacs> Eigenvector number:    97
 Rdmodfacs> Corresponding eigenvalue:   83.92    

 Rdmodfacs> Eigenvector number:    98
 Rdmodfacs> Corresponding eigenvalue:   84.79    

 Rdmodfacs> Eigenvector number:    99
 Rdmodfacs> Corresponding eigenvalue:   85.46    

 Rdmodfacs> Eigenvector number:   100
 Rdmodfacs> Corresponding eigenvalue:   85.64    

 Rdmodfacs> Eigenvector number:   101
 Rdmodfacs> Corresponding eigenvalue:   86.41    

 Rdmodfacs> Eigenvector number:   102
 Rdmodfacs> Corresponding eigenvalue:   86.73    

 Rdmodfacs> Eigenvector number:   103
 Rdmodfacs> Corresponding eigenvalue:   87.52    

 Rdmodfacs> Eigenvector number:   104
 Rdmodfacs> Corresponding eigenvalue:   88.93    

 Rdmodfacs> Eigenvector number:   105
 Rdmodfacs> Corresponding eigenvalue:   89.73    

 Rdmodfacs> Eigenvector number:   106
 Rdmodfacs> Corresponding eigenvalue:   90.49    

 Rtb_to_modes>  106 vectors, with    690 coordinates in vector file.

 Norm of eigenvectors in projected coordinates (one expected):
 1.00000 0.99996 1.00003 0.99999 1.00005
 0.99999 1.00001 0.99998 0.99999 1.00004
 1.00005 0.99999 1.00001 0.99999 0.99998
 0.99999 0.99997 0.99999 1.00003 1.00000
 1.00000 0.99998 1.00000 0.99998 1.00000
 0.99999 1.00003 1.00000 0.99999 1.00001
 1.00001 0.99998 0.99998 0.99998 1.00000
 1.00001 1.00000 0.99999 0.99999 1.00003
 1.00001 1.00001 0.99997 0.99998 1.00000
 0.99998 0.99998 1.00000 1.00002 1.00002
 1.00000 0.99998 1.00000 1.00000 0.99999
 0.99999 0.99998 0.99999 1.00000 1.00001
 1.00000 1.00000 0.99999 0.99998 1.00000
 1.00000 0.99998 1.00000 1.00000 0.99997
 0.99999 0.99999 1.00001 0.99998 1.00002
 0.99998 1.00000 0.99999 1.00000 1.00000
 0.99997 1.00000 1.00001 1.00003 0.99999
 1.00001 1.00000 1.00000 0.99999 0.99999
 0.99998 1.00003 1.00001 0.99999 1.00001
 1.00000 1.00002 1.00001 0.99999 0.99999
 1.00001 0.99998 1.00002 0.99999 1.00001
 1.00000

 Rtb_to_modes> RTB block-file is being read.
 Rtb_to_modes>    32544 lines found in RTB file.

 Norm of eigenvectors in cartesian coordinates (one expected):
 1.00000 0.99996 1.00003 0.99999 1.00005
 0.99999 1.00001 0.99998 0.99999 1.00004
 1.00005 0.99999 1.00001 0.99999 0.99998
 0.99999 0.99997 0.99999 1.00003 1.00000
 1.00000 0.99998 1.00000 0.99998 1.00000
 0.99999 1.00003 1.00000 0.99999 1.00001
 1.00001 0.99998 0.99998 0.99998 1.00000
 1.00001 1.00000 0.99999 0.99999 1.00003
 1.00001 1.00001 0.99997 0.99998 1.00000
 0.99998 0.99998 1.00000 1.00002 1.00002
 1.00000 0.99998 1.00000 1.00000 0.99999
 0.99999 0.99998 0.99999 1.00000 1.00001
 1.00000 1.00000 0.99999 0.99998 1.00000
 1.00000 0.99998 1.00000 1.00000 0.99997
 0.99999 0.99999 1.00001 0.99998 1.00002
 0.99998 1.00000 0.99999 1.00000 1.00000
 0.99997 1.00000 1.00001 1.00003 0.99999
 1.00001 1.00000 1.00000 0.99999 0.99999
 0.99998 1.00003 1.00001 0.99999 1.00001
 1.00000 1.00002 1.00001 0.99999 0.99999
 1.00001 0.99998 1.00002 0.99999 1.00001
 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> 2404102226553446872.eigenfacs

 Openam> file on opening on unit     10:
 2404102226553446872.eigenfacs                                   
 Getnam> Corresponding pdb filename ?
 Getnam> 2404102226553446872.atom

 Openam> file on opening on unit     11:
 2404102226553446872.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 =    228
            First residue number     =    308
            Last  residue number     =    547
            Number of atoms found    =   1808
            Mean number per residue  =      7.9

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     1
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9918E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     2
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9936E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     3
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9964E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     4
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9969E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     5
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0007E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     6
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0008E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     7
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.445    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     8
 Rdmodfacs> Valeur propre du vecteur en lecture:   4.550    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     9
 Rdmodfacs> Valeur propre du vecteur en lecture:   5.357    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    10
 Rdmodfacs> Valeur propre du vecteur en lecture:   6.326    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    11
 Rdmodfacs> Valeur propre du vecteur en lecture:   8.107    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    12
 Rdmodfacs> Valeur propre du vecteur en lecture:   9.754    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    13
 Rdmodfacs> Valeur propre du vecteur en lecture:   11.36    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    14
 Rdmodfacs> Valeur propre du vecteur en lecture:   12.20    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    15
 Rdmodfacs> Valeur propre du vecteur en lecture:   13.09    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    16
 Rdmodfacs> Valeur propre du vecteur en lecture:   13.70    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    17
 Rdmodfacs> Valeur propre du vecteur en lecture:   14.25    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    18
 Rdmodfacs> Valeur propre du vecteur en lecture:   15.27    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    19
 Rdmodfacs> Valeur propre du vecteur en lecture:   16.87    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    20
 Rdmodfacs> Valeur propre du vecteur en lecture:   18.70    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    21
 Rdmodfacs> Valeur propre du vecteur en lecture:   19.19    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    22
 Rdmodfacs> Valeur propre du vecteur en lecture:   21.21    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    23
 Rdmodfacs> Valeur propre du vecteur en lecture:   21.37    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    24
 Rdmodfacs> Valeur propre du vecteur en lecture:   22.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    25
 Rdmodfacs> Valeur propre du vecteur en lecture:   23.32    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    26
 Rdmodfacs> Valeur propre du vecteur en lecture:   23.83    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    27
 Rdmodfacs> Valeur propre du vecteur en lecture:   24.86    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    28
 Rdmodfacs> Valeur propre du vecteur en lecture:   25.81    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    29
 Rdmodfacs> Valeur propre du vecteur en lecture:   26.38    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    30
 Rdmodfacs> Valeur propre du vecteur en lecture:   27.47    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    31
 Rdmodfacs> Valeur propre du vecteur en lecture:   28.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    32
 Rdmodfacs> Valeur propre du vecteur en lecture:   29.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    33
 Rdmodfacs> Valeur propre du vecteur en lecture:   31.00    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    34
 Rdmodfacs> Valeur propre du vecteur en lecture:   32.02    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    35
 Rdmodfacs> Valeur propre du vecteur en lecture:   33.42    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    36
 Rdmodfacs> Valeur propre du vecteur en lecture:   34.01    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    37
 Rdmodfacs> Valeur propre du vecteur en lecture:   34.94    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    38
 Rdmodfacs> Valeur propre du vecteur en lecture:   35.42    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    39
 Rdmodfacs> Valeur propre du vecteur en lecture:   35.97    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    40
 Rdmodfacs> Valeur propre du vecteur en lecture:   37.19    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    41
 Rdmodfacs> Valeur propre du vecteur en lecture:   38.21    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    42
 Rdmodfacs> Valeur propre du vecteur en lecture:   38.84    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    43
 Rdmodfacs> Valeur propre du vecteur en lecture:   39.97    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    44
 Rdmodfacs> Valeur propre du vecteur en lecture:   40.40    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    45
 Rdmodfacs> Valeur propre du vecteur en lecture:   41.23    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    46
 Rdmodfacs> Valeur propre du vecteur en lecture:   42.13    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    47
 Rdmodfacs> Valeur propre du vecteur en lecture:   42.64    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    48
 Rdmodfacs> Valeur propre du vecteur en lecture:   44.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    49
 Rdmodfacs> Valeur propre du vecteur en lecture:   45.39    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    50
 Rdmodfacs> Valeur propre du vecteur en lecture:   45.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    51
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.00    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    52
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.53    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    53
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.62    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    54
 Rdmodfacs> Valeur propre du vecteur en lecture:   49.13    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    55
 Rdmodfacs> Valeur propre du vecteur en lecture:   49.76    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    56
 Rdmodfacs> Valeur propre du vecteur en lecture:   51.01    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    57
 Rdmodfacs> Valeur propre du vecteur en lecture:   52.45    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    58
 Rdmodfacs> Valeur propre du vecteur en lecture:   52.74    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    59
 Rdmodfacs> Valeur propre du vecteur en lecture:   53.23    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    60
 Rdmodfacs> Valeur propre du vecteur en lecture:   54.71    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    61
 Rdmodfacs> Valeur propre du vecteur en lecture:   55.50    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    62
 Rdmodfacs> Valeur propre du vecteur en lecture:   56.08    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    63
 Rdmodfacs> Valeur propre du vecteur en lecture:   56.70    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    64
 Rdmodfacs> Valeur propre du vecteur en lecture:   58.01    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    65
 Rdmodfacs> Valeur propre du vecteur en lecture:   59.34    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    66
 Rdmodfacs> Valeur propre du vecteur en lecture:   59.51    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    67
 Rdmodfacs> Valeur propre du vecteur en lecture:   60.40    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    68
 Rdmodfacs> Valeur propre du vecteur en lecture:   60.96    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    69
 Rdmodfacs> Valeur propre du vecteur en lecture:   62.67    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    70
 Rdmodfacs> Valeur propre du vecteur en lecture:   63.44    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    71
 Rdmodfacs> Valeur propre du vecteur en lecture:   64.51    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    72
 Rdmodfacs> Valeur propre du vecteur en lecture:   65.29    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    73
 Rdmodfacs> Valeur propre du vecteur en lecture:   66.34    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    74
 Rdmodfacs> Valeur propre du vecteur en lecture:   66.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    75
 Rdmodfacs> Valeur propre du vecteur en lecture:   67.87    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    76
 Rdmodfacs> Valeur propre du vecteur en lecture:   68.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    77
 Rdmodfacs> Valeur propre du vecteur en lecture:   68.27    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    78
 Rdmodfacs> Valeur propre du vecteur en lecture:   69.04    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    79
 Rdmodfacs> Valeur propre du vecteur en lecture:   70.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    80
 Rdmodfacs> Valeur propre du vecteur en lecture:   71.46    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    81
 Rdmodfacs> Valeur propre du vecteur en lecture:   72.16    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    82
 Rdmodfacs> Valeur propre du vecteur en lecture:   73.29    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    83
 Rdmodfacs> Valeur propre du vecteur en lecture:   73.41    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    84
 Rdmodfacs> Valeur propre du vecteur en lecture:   74.48    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    85
 Rdmodfacs> Valeur propre du vecteur en lecture:   74.60    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    86
 Rdmodfacs> Valeur propre du vecteur en lecture:   75.05    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    87
 Rdmodfacs> Valeur propre du vecteur en lecture:   76.33    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    88
 Rdmodfacs> Valeur propre du vecteur en lecture:   76.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    89
 Rdmodfacs> Valeur propre du vecteur en lecture:   77.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    90
 Rdmodfacs> Valeur propre du vecteur en lecture:   78.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    91
 Rdmodfacs> Valeur propre du vecteur en lecture:   78.80    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    92
 Rdmodfacs> Valeur propre du vecteur en lecture:   80.11    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    93
 Rdmodfacs> Valeur propre du vecteur en lecture:   81.18    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    94
 Rdmodfacs> Valeur propre du vecteur en lecture:   81.57    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    95
 Rdmodfacs> Valeur propre du vecteur en lecture:   82.55    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    96
 Rdmodfacs> Valeur propre du vecteur en lecture:   83.19    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    97
 Rdmodfacs> Valeur propre du vecteur en lecture:   83.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    98
 Rdmodfacs> Valeur propre du vecteur en lecture:   84.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    99
 Rdmodfacs> Valeur propre du vecteur en lecture:   85.46    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   100
 Rdmodfacs> Valeur propre du vecteur en lecture:   85.64    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   101
 Rdmodfacs> Valeur propre du vecteur en lecture:   86.41    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   102
 Rdmodfacs> Valeur propre du vecteur en lecture:   86.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   103
 Rdmodfacs> Valeur propre du vecteur en lecture:   87.52    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   104
 Rdmodfacs> Valeur propre du vecteur en lecture:   88.93    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   105
 Rdmodfacs> Valeur propre du vecteur en lecture:   89.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   106
 Rdmodfacs> Valeur propre du vecteur en lecture:   90.49    

 Bfactors>  106 vectors,   5424 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  :     3.445000
 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=      0.532 for    233 C-alpha atoms.
 Bfactors> =      0.026 +/-   0.03
 Bfactors> =     20.222 +/-   7.33
 Bfactors> Shiftng-fct=     20.196
 Bfactors> Scaling-fct=    275.010

 Bfactors> Predicted, Scaled and Experimental B-factors are saved.

 Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404102226553446872 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=0
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=100
2404102226553446872.eigenfacs
2404102226553446872.atom
making animated gifs
11 models are in 2404102226553446872.7.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 2404102226553446872.7.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 2404102226553446872.7.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 2404102226553446872 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=0
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=100
2404102226553446872.eigenfacs
2404102226553446872.atom
making animated gifs
11 models are in 2404102226553446872.8.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 2404102226553446872.8.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 2404102226553446872.8.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 2404102226553446872 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=0
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=100
2404102226553446872.eigenfacs
2404102226553446872.atom
making animated gifs
11 models are in 2404102226553446872.9.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 2404102226553446872.9.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 2404102226553446872.9.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 2404102226553446872 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=0
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=100
2404102226553446872.eigenfacs
2404102226553446872.atom
making animated gifs
11 models are in 2404102226553446872.10.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 2404102226553446872.10.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 2404102226553446872.10.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 2404102226553446872 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=-20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=0
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=20
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=40
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=60
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=80
2404102226553446872.eigenfacs
2404102226553446872.atom
calculating perturbed structure for DQ=100
2404102226553446872.eigenfacs
2404102226553446872.atom
making animated gifs
11 models are in 2404102226553446872.11.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 2404102226553446872.11.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 2404102226553446872.11.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
2404102226553446872.10.pdb
2404102226553446872.11.pdb
2404102226553446872.7.pdb
2404102226553446872.8.pdb
2404102226553446872.9.pdb



STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL

real	0m6.068s
user	0m6.040s
sys	0m0.028s
../../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: 2404102226553446872.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:
K. Suhre & Y.H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
K. Suhre & Y.H. Sanejouand, On the potential of normal mode analysis for solving difficult molecular replacement problems. Acta Cryst. D vol.60, p796-799, 2004 © International Union of Crystallography.
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.
Should you encounter any unexpected behaviour, please let us know.

*** 5WGD_A ***

LOGs for ID: 2404102226553446872

output from eigenvector calculation:

Should you encounter any unexpected behaviour,
please let us know.

* 5WGD_A *
