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

* rnv66-del5-1 *

LOGs for ID: 240125110501333825

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     = 240125110501333825.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 240125110501333825.atom to be opened.

 Openam> File opened: 240125110501333825.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 =     85
            First residue number     =      1
            Last  residue number     =     85
            Number of atoms found    =   2726
            Mean number per residue  =     32.1

 Pdbmat> Coordinate statistics: 
 =   -13.026669 +/-    19.277088 From:   -53.900000 To:    22.030000
 =    32.769006 +/-     7.666423 From:    13.840000 To:    53.450000
 =    34.078808 +/-    19.442601 From:    -3.340000 To:    74.410000
 Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'DT5 ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG  ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT  ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG  ' is not a well known amino-acid.
%Pdbmat-W> residue:'LCG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG  ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG  ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG  ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT  ' is not a well known amino-acid.
%Pdbmat-W> ........

%Pdbmat-W>     85 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   4.1089 % Filled.
 Pdbmat>      1374187  non-zero elements.
 Pdbmat>       151114 atom-atom interactions.

 Pdbmat> Number per atom=    110.87 +/-     32.55
         Maximum number =    202
         Minimum number =     40

 Pdbmat> Matrix trace   = 3.022280E+06
 Pdbmat> Larger element =  785.440    
 Pdbmat>      0 elements larger than +/-  1.0E+10

 Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
85 non-zero elements, NRBL set to 1
Diagonalize Tirion matrix using diagrtb
 Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
 Diagrtb> Version 2.52, November 2004. 
 Diagrtb> Options to be read in diagrtb.dat file.

 Diagrtb> Options taken into account:

 MATRix filename          = pdbmat.sdijb
 COORdinates filename     = 240125110501333825.atom
 Eigenvector OUTPut file  = matrix.eigenrtb
 Nb of VECTors required   =        106
 EigeNVALues chosen       =       LOWE
 Type of SUBStructuring   =       NONE
 Nb of residues per BLOck =          1
 Origin of MASS values    =       CONS
 MATRix FORMat            =       BINA
 Temporary files cleaning =       ALL 
 Output PRINting level    =          2

 Diagrtb> Memory allocation for Blocpdb.

 Blocpdb> Entering in.

 Openam> file on opening on unit     10:
 diagrtb_work.xyzm   

 Blocpdb> Coordinate file 240125110501333825.atom to be opened.

 Openam> file on opening on unit     11:
 240125110501333825.atom                                                                                                         

 Blocpdb> Coordinate file in PDB format.

 Blocpdb>  2726 atoms picked in pdb file.
 Blocpdb>   All masses set to unity.
 Blocpdb> Coordinate file is rewritten.

 Blocpdb> Substructuring:
 Blocpdb>     1 residue(s) per block.
 Blocpdb>    85 residues.
 Blocpdb>    30 atoms in block      1
 Block first atom:      1
 Blocpdb>    33 atoms in block      2
 Block first atom:     31
 Blocpdb>    32 atoms in block      3
 Block first atom:     64
 Blocpdb>    33 atoms in block      4
 Block first atom:     96
 Blocpdb>    35 atoms in block      5
 Block first atom:    129
 Blocpdb>    33 atoms in block      6
 Block first atom:    164
 Blocpdb>    33 atoms in block      7
 Block first atom:    197
 Blocpdb>    33 atoms in block      8
 Block first atom:    230
 Blocpdb>    32 atoms in block      9
 Block first atom:    263
 Blocpdb>    33 atoms in block     10
 Block first atom:    295
 Blocpdb>    33 atoms in block     11
 Block first atom:    328
 Blocpdb>    32 atoms in block     12
 Block first atom:    361
 Blocpdb>    30 atoms in block     13
 Block first atom:    393
 Blocpdb>    33 atoms in block     14
 Block first atom:    423
 Blocpdb>    33 atoms in block     15
 Block first atom:    456
 Blocpdb>    33 atoms in block     16
 Block first atom:    489
 Blocpdb>    30 atoms in block     17
 Block first atom:    522
 Blocpdb>    30 atoms in block     18
 Block first atom:    552
 Blocpdb>    33 atoms in block     19
 Block first atom:    582
 Blocpdb>    33 atoms in block     20
 Block first atom:    615
 Blocpdb>    35 atoms in block     21
 Block first atom:    648
 Blocpdb>    32 atoms in block     22
 Block first atom:    683
 Blocpdb>    32 atoms in block     23
 Block first atom:    715
 Blocpdb>    35 atoms in block     24
 Block first atom:    747
 Blocpdb>    32 atoms in block     25
 Block first atom:    782
 Blocpdb>    32 atoms in block     26
 Block first atom:    814
 Blocpdb>    32 atoms in block     27
 Block first atom:    846
 Blocpdb>    32 atoms in block     28
 Block first atom:    878
 Blocpdb>    32 atoms in block     29
 Block first atom:    910
 Blocpdb>    32 atoms in block     30
 Block first atom:    942
 Blocpdb>    32 atoms in block     31
 Block first atom:    974
 Blocpdb>    32 atoms in block     32
 Block first atom:   1006
 Blocpdb>    32 atoms in block     33
 Block first atom:   1038
 Blocpdb>    32 atoms in block     34
 Block first atom:   1070
 Blocpdb>    32 atoms in block     35
 Block first atom:   1102
 Blocpdb>    32 atoms in block     36
 Block first atom:   1134
 Blocpdb>    32 atoms in block     37
 Block first atom:   1166
 Blocpdb>    32 atoms in block     38
 Block first atom:   1198
 Blocpdb>    30 atoms in block     39
 Block first atom:   1230
 Blocpdb>    30 atoms in block     40
 Block first atom:   1260
 Blocpdb>    32 atoms in block     41
 Block first atom:   1290
 Blocpdb>    33 atoms in block     42
 Block first atom:   1322
 Blocpdb>    32 atoms in block     43
 Block first atom:   1355
 Blocpdb>    30 atoms in block     44
 Block first atom:   1387
 Blocpdb>    32 atoms in block     45
 Block first atom:   1417
 Blocpdb>    32 atoms in block     46
 Block first atom:   1449
 Blocpdb>    32 atoms in block     47
 Block first atom:   1481
 Blocpdb>    32 atoms in block     48
 Block first atom:   1513
 Blocpdb>    30 atoms in block     49
 Block first atom:   1545
 Blocpdb>    32 atoms in block     50
 Block first atom:   1575
 Blocpdb>    32 atoms in block     51
 Block first atom:   1607
 Blocpdb>    32 atoms in block     52
 Block first atom:   1639
 Blocpdb>    32 atoms in block     53
 Block first atom:   1671
 Blocpdb>    33 atoms in block     54
 Block first atom:   1703
 Blocpdb>    33 atoms in block     55
 Block first atom:   1736
 Blocpdb>    33 atoms in block     56
 Block first atom:   1769
 Blocpdb>    30 atoms in block     57
 Block first atom:   1802
 Blocpdb>    30 atoms in block     58
 Block first atom:   1832
 Blocpdb>    30 atoms in block     59
 Block first atom:   1862
 Blocpdb>    33 atoms in block     60
 Block first atom:   1892
 Blocpdb>    32 atoms in block     61
 Block first atom:   1925
 Blocpdb>    30 atoms in block     62
 Block first atom:   1957
 Blocpdb>    30 atoms in block     63
 Block first atom:   1987
 Blocpdb>    33 atoms in block     64
 Block first atom:   2017
 Blocpdb>    32 atoms in block     65
 Block first atom:   2050
 Blocpdb>    32 atoms in block     66
 Block first atom:   2082
 Blocpdb>    32 atoms in block     67
 Block first atom:   2114
 Blocpdb>    33 atoms in block     68
 Block first atom:   2146
 Blocpdb>    33 atoms in block     69
 Block first atom:   2179
 Blocpdb>    32 atoms in block     70
 Block first atom:   2212
 Blocpdb>    33 atoms in block     71
 Block first atom:   2244
 Blocpdb>    33 atoms in block     72
 Block first atom:   2277
 Blocpdb>    33 atoms in block     73
 Block first atom:   2310
 Blocpdb>    32 atoms in block     74
 Block first atom:   2343
 Blocpdb>    33 atoms in block     75
 Block first atom:   2375
 Blocpdb>    32 atoms in block     76
 Block first atom:   2408
 Blocpdb>    33 atoms in block     77
 Block first atom:   2440
 Blocpdb>    30 atoms in block     78
 Block first atom:   2473
 Blocpdb>    32 atoms in block     79
 Block first atom:   2503
 Blocpdb>    33 atoms in block     80
 Block first atom:   2535
 Blocpdb>    33 atoms in block     81
 Block first atom:   2568
 Blocpdb>    30 atoms in block     82
 Block first atom:   2601
 Blocpdb>    30 atoms in block     83
 Block first atom:   2631
 Blocpdb>    32 atoms in block     84
 Block first atom:   2661
 Blocpdb>    34 atoms in block     85
 Block first atom:   2692

 Blocpdb>    85 blocks.

 Blocpdb> At most,     35 atoms in each of them.
 Blocpdb> At least,    30 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>      1374272 matrix lines read.

 Prepmat> Matrix order    =       8178

 Prepmat> Matrix trace    =    3022280.0000
 Prepmat> Last element read:    8178   8178       528.6926
 Prepmat>         3656 lines saved.
 Prepmat>         3021 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:  2726
 RTB> Total mass =        2726.0000
 RTB> Number of atoms found in matrix:  2726
 RTB> Number of blocks =    85
 RTB> Projection begins.
 RTB> Projected matrix is being saved.
 RTB> Projected matrix trace =  145393.7963
 RTB>     21549 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 =      510
 Diagstd> Nb of non-zero elements:    21549
 Diagstd> Projected matrix trace =  145393.7963

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

 Diagstd>    510 eigenvectors are computed. 
 Diagstd>    106 of them to be saved. 

 Diagstd> Sum of eigenvalues = 145393.7963
 Diagstd> Best zero-eigenvalue found  :     0.000000

 Diagstd>      6 zero-eigenvalues, that is, below or equal to:    0.0000000

 Diagstd> Selected eigenvalues: 
      0.0000000      0.0000000      0.0000000      0.0000000      0.0000000
      0.0000000      0.0829640      0.1239763      0.2521975      0.3932511
      0.6676987      1.2977178      1.6091664      2.0726068      3.6933610
      3.9881002      4.4940410      6.1394730      7.8781827      8.2172497
      8.7612443      9.9964180     12.1761332     12.3970686     15.9648866
     16.3323955     18.2218695     20.5415145     20.8505600     23.5362884
     24.4512651     24.7767986     27.1172573     28.3419465     29.4947782
     29.9791374     31.3846933     34.3424912     35.2235213     38.9565216
     39.3085565     40.2107579     40.7728019     42.0736022     43.7339668
     44.4044378     46.1169405     47.4164235     48.0926784     48.9155437
     51.5784063     52.4239874     53.6118247     55.6482491     57.2765564
     57.6670329     58.4115715     59.4694912     60.9161985     61.4393984
     62.4470645     64.8800087     66.8887203     68.0060823     68.5580944
     69.9199743     72.1649260     73.0559111     74.2395367     75.4607955
     76.0543660     76.4037716     77.7930768     78.5528673     79.0603001
     80.9059510     81.8482062     83.1988531     84.1300708     84.8746636
     86.3346389     88.1663304     89.3931071     91.0856089     91.2698490
     92.9188354     94.0331349     96.1750081     98.2121404     99.1762579
     99.8903532    101.6387397    104.0221917    105.1912647    105.8428631
    106.4219378    107.3222318    108.2429224    109.2314361    110.2465083
    110.6400829    113.3699561    114.5645462    115.1786517    117.0575674
    117.5074111

 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
      0.0034320      0.0034323      0.0034329      0.0034338      0.0034349
      0.0034357     31.2780902     38.2353099     54.5337842     68.0973595
     88.7330754    123.7044750    137.7513157    156.3341066    208.6921733
    216.8594301    230.2044919    269.0672418    304.7953271    311.2852350
    321.4239067    343.3345298    378.9221341    382.3444431    433.8885600
    438.8541648    463.5448352    492.1658893    495.8543670    526.8224442
    536.9649609    540.5276016    565.4811875    578.1095145    589.7498614
    594.5725384    608.3509981    636.3721688    644.4832957    677.7747202
    680.8302261    688.5990345    693.3947654    704.3688292    718.1327219
    723.6165117    737.4380189    747.7556046    753.0689865    759.4841644
    779.8826158    786.2493608    795.1069959    810.0671718    821.8332910
    824.6299113    829.9362340    837.4181931    847.5428744    851.1748004
    858.1264618    874.6830886    888.1201506    895.5073579    899.1344735
    908.0210369    922.4829877    928.1602411    935.6488899    943.3133263
    947.0160847    949.1889615    957.7799793    962.4458436    965.5494250
    976.7547092    982.4260351    990.4987918    996.0265323   1000.4244870
   1008.9922229   1019.6395272   1026.7088290   1036.3827197   1037.4303433
   1046.7600980   1053.0178612   1064.9430802   1076.1625341   1081.4318075
   1085.3181218   1094.7751121   1107.5370930   1113.7433364   1117.1875052
   1120.2394474   1124.9678938   1129.7829982   1134.9300680   1140.1912454
   1142.2246452   1156.2300956   1162.3057863   1165.4168029   1174.8841032
   1177.1394355

 Diagstd> Normal end.

 Rtb_to_modes> Entering in.

 Rtb_to_modes> Number of atoms in temporary block-file =   2726
 Rtb_to_modes> Number of blocs =     85

 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:  9.9886E-10

 Rdmodfacs> Eigenvector number:     2
 Rdmodfacs> Corresponding eigenvalue:  9.9903E-10

 Rdmodfacs> Eigenvector number:     3
 Rdmodfacs> Corresponding eigenvalue:  9.9938E-10

 Rdmodfacs> Eigenvector number:     4
 Rdmodfacs> Corresponding eigenvalue:  9.9992E-10

 Rdmodfacs> Eigenvector number:     5
 Rdmodfacs> Corresponding eigenvalue:  1.0006E-09

 Rdmodfacs> Eigenvector number:     6
 Rdmodfacs> Corresponding eigenvalue:  1.0010E-09

 Rdmodfacs> Eigenvector number:     7
 Rdmodfacs> Corresponding eigenvalue:  8.2964E-02

 Rdmodfacs> Eigenvector number:     8
 Rdmodfacs> Corresponding eigenvalue:  0.1240    

 Rdmodfacs> Eigenvector number:     9
 Rdmodfacs> Corresponding eigenvalue:  0.2522    

 Rdmodfacs> Eigenvector number:    10
 Rdmodfacs> Corresponding eigenvalue:  0.3933    

 Rdmodfacs> Eigenvector number:    11
 Rdmodfacs> Corresponding eigenvalue:  0.6677    

 Rdmodfacs> Eigenvector number:    12
 Rdmodfacs> Corresponding eigenvalue:   1.298    

 Rdmodfacs> Eigenvector number:    13
 Rdmodfacs> Corresponding eigenvalue:   1.609    

 Rdmodfacs> Eigenvector number:    14
 Rdmodfacs> Corresponding eigenvalue:   2.073    

 Rdmodfacs> Eigenvector number:    15
 Rdmodfacs> Corresponding eigenvalue:   3.693    

 Rdmodfacs> Eigenvector number:    16
 Rdmodfacs> Corresponding eigenvalue:   3.988    

 Rdmodfacs> Eigenvector number:    17
 Rdmodfacs> Corresponding eigenvalue:   4.494    

 Rdmodfacs> Eigenvector number:    18
 Rdmodfacs> Corresponding eigenvalue:   6.139    

 Rdmodfacs> Eigenvector number:    19
 Rdmodfacs> Corresponding eigenvalue:   7.878    

 Rdmodfacs> Eigenvector number:    20
 Rdmodfacs> Corresponding eigenvalue:   8.217    

 Rdmodfacs> Eigenvector number:    21
 Rdmodfacs> Corresponding eigenvalue:   8.761    

 Rdmodfacs> Eigenvector number:    22
 Rdmodfacs> Corresponding eigenvalue:   9.996    

 Rdmodfacs> Eigenvector number:    23
 Rdmodfacs> Corresponding eigenvalue:   12.18    

 Rdmodfacs> Eigenvector number:    24
 Rdmodfacs> Corresponding eigenvalue:   12.40    

 Rdmodfacs> Eigenvector number:    25
 Rdmodfacs> Corresponding eigenvalue:   15.96    

 Rdmodfacs> Eigenvector number:    26
 Rdmodfacs> Corresponding eigenvalue:   16.33    

 Rdmodfacs> Eigenvector number:    27
 Rdmodfacs> Corresponding eigenvalue:   18.22    

 Rdmodfacs> Eigenvector number:    28
 Rdmodfacs> Corresponding eigenvalue:   20.54    

 Rdmodfacs> Eigenvector number:    29
 Rdmodfacs> Corresponding eigenvalue:   20.85    

 Rdmodfacs> Eigenvector number:    30
 Rdmodfacs> Corresponding eigenvalue:   23.54    

 Rdmodfacs> Eigenvector number:    31
 Rdmodfacs> Corresponding eigenvalue:   24.45    

 Rdmodfacs> Eigenvector number:    32
 Rdmodfacs> Corresponding eigenvalue:   24.78    

 Rdmodfacs> Eigenvector number:    33
 Rdmodfacs> Corresponding eigenvalue:   27.12    

 Rdmodfacs> Eigenvector number:    34
 Rdmodfacs> Corresponding eigenvalue:   28.34    

 Rdmodfacs> Eigenvector number:    35
 Rdmodfacs> Corresponding eigenvalue:   29.49    

 Rdmodfacs> Eigenvector number:    36
 Rdmodfacs> Corresponding eigenvalue:   29.98    

 Rdmodfacs> Eigenvector number:    37
 Rdmodfacs> Corresponding eigenvalue:   31.38    

 Rdmodfacs> Eigenvector number:    38
 Rdmodfacs> Corresponding eigenvalue:   34.34    

 Rdmodfacs> Eigenvector number:    39
 Rdmodfacs> Corresponding eigenvalue:   35.22    

 Rdmodfacs> Eigenvector number:    40
 Rdmodfacs> Corresponding eigenvalue:   38.96    

 Rdmodfacs> Eigenvector number:    41
 Rdmodfacs> Corresponding eigenvalue:   39.31    

 Rdmodfacs> Eigenvector number:    42
 Rdmodfacs> Corresponding eigenvalue:   40.21    

 Rdmodfacs> Eigenvector number:    43
 Rdmodfacs> Corresponding eigenvalue:   40.77    

 Rdmodfacs> Eigenvector number:    44
 Rdmodfacs> Corresponding eigenvalue:   42.07    

 Rdmodfacs> Eigenvector number:    45
 Rdmodfacs> Corresponding eigenvalue:   43.73    

 Rdmodfacs> Eigenvector number:    46
 Rdmodfacs> Corresponding eigenvalue:   44.40    

 Rdmodfacs> Eigenvector number:    47
 Rdmodfacs> Corresponding eigenvalue:   46.12    

 Rdmodfacs> Eigenvector number:    48
 Rdmodfacs> Corresponding eigenvalue:   47.42    

 Rdmodfacs> Eigenvector number:    49
 Rdmodfacs> Corresponding eigenvalue:   48.09    

 Rdmodfacs> Eigenvector number:    50
 Rdmodfacs> Corresponding eigenvalue:   48.92    

 Rdmodfacs> Eigenvector number:    51
 Rdmodfacs> Corresponding eigenvalue:   51.58    

 Rdmodfacs> Eigenvector number:    52
 Rdmodfacs> Corresponding eigenvalue:   52.42    

 Rdmodfacs> Eigenvector number:    53
 Rdmodfacs> Corresponding eigenvalue:   53.61    

 Rdmodfacs> Eigenvector number:    54
 Rdmodfacs> Corresponding eigenvalue:   55.65    

 Rdmodfacs> Eigenvector number:    55
 Rdmodfacs> Corresponding eigenvalue:   57.28    

 Rdmodfacs> Eigenvector number:    56
 Rdmodfacs> Corresponding eigenvalue:   57.67    

 Rdmodfacs> Eigenvector number:    57
 Rdmodfacs> Corresponding eigenvalue:   58.41    

 Rdmodfacs> Eigenvector number:    58
 Rdmodfacs> Corresponding eigenvalue:   59.47    

 Rdmodfacs> Eigenvector number:    59
 Rdmodfacs> Corresponding eigenvalue:   60.92    

 Rdmodfacs> Eigenvector number:    60
 Rdmodfacs> Corresponding eigenvalue:   61.44    

 Rdmodfacs> Eigenvector number:    61
 Rdmodfacs> Corresponding eigenvalue:   62.45    

 Rdmodfacs> Eigenvector number:    62
 Rdmodfacs> Corresponding eigenvalue:   64.88    

 Rdmodfacs> Eigenvector number:    63
 Rdmodfacs> Corresponding eigenvalue:   66.89    

 Rdmodfacs> Eigenvector number:    64
 Rdmodfacs> Corresponding eigenvalue:   68.01    

 Rdmodfacs> Eigenvector number:    65
 Rdmodfacs> Corresponding eigenvalue:   68.56    

 Rdmodfacs> Eigenvector number:    66
 Rdmodfacs> Corresponding eigenvalue:   69.92    

 Rdmodfacs> Eigenvector number:    67
 Rdmodfacs> Corresponding eigenvalue:   72.16    

 Rdmodfacs> Eigenvector number:    68
 Rdmodfacs> Corresponding eigenvalue:   73.06    

 Rdmodfacs> Eigenvector number:    69
 Rdmodfacs> Corresponding eigenvalue:   74.24    

 Rdmodfacs> Eigenvector number:    70
 Rdmodfacs> Corresponding eigenvalue:   75.46    

 Rdmodfacs> Eigenvector number:    71
 Rdmodfacs> Corresponding eigenvalue:   76.05    

 Rdmodfacs> Eigenvector number:    72
 Rdmodfacs> Corresponding eigenvalue:   76.40    

 Rdmodfacs> Eigenvector number:    73
 Rdmodfacs> Corresponding eigenvalue:   77.79    

 Rdmodfacs> Eigenvector number:    74
 Rdmodfacs> Corresponding eigenvalue:   78.55    

 Rdmodfacs> Eigenvector number:    75
 Rdmodfacs> Corresponding eigenvalue:   79.06    

 Rdmodfacs> Eigenvector number:    76
 Rdmodfacs> Corresponding eigenvalue:   80.91    

 Rdmodfacs> Eigenvector number:    77
 Rdmodfacs> Corresponding eigenvalue:   81.85    

 Rdmodfacs> Eigenvector number:    78
 Rdmodfacs> Corresponding eigenvalue:   83.20    

 Rdmodfacs> Eigenvector number:    79
 Rdmodfacs> Corresponding eigenvalue:   84.13    

 Rdmodfacs> Eigenvector number:    80
 Rdmodfacs> Corresponding eigenvalue:   84.87    

 Rdmodfacs> Eigenvector number:    81
 Rdmodfacs> Corresponding eigenvalue:   86.33    

 Rdmodfacs> Eigenvector number:    82
 Rdmodfacs> Corresponding eigenvalue:   88.17    

 Rdmodfacs> Eigenvector number:    83
 Rdmodfacs> Corresponding eigenvalue:   89.39    

 Rdmodfacs> Eigenvector number:    84
 Rdmodfacs> Corresponding eigenvalue:   91.09    

 Rdmodfacs> Eigenvector number:    85
 Rdmodfacs> Corresponding eigenvalue:   91.27    

 Rdmodfacs> Eigenvector number:    86
 Rdmodfacs> Corresponding eigenvalue:   92.92    

 Rdmodfacs> Eigenvector number:    87
 Rdmodfacs> Corresponding eigenvalue:   94.03    

 Rdmodfacs> Eigenvector number:    88
 Rdmodfacs> Corresponding eigenvalue:   96.18    

 Rdmodfacs> Eigenvector number:    89
 Rdmodfacs> Corresponding eigenvalue:   98.21    

 Rdmodfacs> Eigenvector number:    90
 Rdmodfacs> Corresponding eigenvalue:   99.18    

 Rdmodfacs> Eigenvector number:    91
 Rdmodfacs> Corresponding eigenvalue:   99.89    

 Rdmodfacs> Eigenvector number:    92
 Rdmodfacs> Corresponding eigenvalue:   101.6    

 Rdmodfacs> Eigenvector number:    93
 Rdmodfacs> Corresponding eigenvalue:   104.0    

 Rdmodfacs> Eigenvector number:    94
 Rdmodfacs> Corresponding eigenvalue:   105.2    

 Rdmodfacs> Eigenvector number:    95
 Rdmodfacs> Corresponding eigenvalue:   105.8    

 Rdmodfacs> Eigenvector number:    96
 Rdmodfacs> Corresponding eigenvalue:   106.4    

 Rdmodfacs> Eigenvector number:    97
 Rdmodfacs> Corresponding eigenvalue:   107.3    

 Rdmodfacs> Eigenvector number:    98
 Rdmodfacs> Corresponding eigenvalue:   108.2    

 Rdmodfacs> Eigenvector number:    99
 Rdmodfacs> Corresponding eigenvalue:   109.2    

 Rdmodfacs> Eigenvector number:   100
 Rdmodfacs> Corresponding eigenvalue:   110.2    

 Rdmodfacs> Eigenvector number:   101
 Rdmodfacs> Corresponding eigenvalue:   110.6    

 Rdmodfacs> Eigenvector number:   102
 Rdmodfacs> Corresponding eigenvalue:   113.4    

 Rdmodfacs> Eigenvector number:   103
 Rdmodfacs> Corresponding eigenvalue:   114.6    

 Rdmodfacs> Eigenvector number:   104
 Rdmodfacs> Corresponding eigenvalue:   115.2    

 Rdmodfacs> Eigenvector number:   105
 Rdmodfacs> Corresponding eigenvalue:   117.1    

 Rdmodfacs> Eigenvector number:   106
 Rdmodfacs> Corresponding eigenvalue:   117.5    

 Rtb_to_modes>  106 vectors, with    510 coordinates in vector file.

 Norm of eigenvectors in projected coordinates (one expected):
 1.00001 1.00002 1.00000 0.99997 1.00002
 1.00000 0.99998 0.99999 1.00001 1.00003
 1.00000 1.00001 1.00001 1.00001 1.00000
 1.00000 0.99998 0.99998 0.99999 1.00002
 1.00001 1.00001 1.00003 1.00000 0.99998
 1.00001 1.00003 1.00000 1.00000 0.99997
 1.00004 1.00000 1.00000 0.99999 0.99999
 0.99999 0.99999 1.00001 0.99999 0.99998
 0.99999 1.00001 0.99999 1.00000 1.00000
 0.99995 0.99997 1.00000 0.99998 1.00002
 1.00001 1.00002 1.00002 0.99996 1.00002
 1.00002 1.00003 1.00000 1.00001 1.00001
 1.00004 1.00000 0.99999 1.00000 0.99998
 0.99999 1.00002 1.00002 1.00001 1.00001
 0.99999 1.00001 1.00001 1.00003 1.00000
 0.99998 0.99999 1.00000 1.00000 1.00000
 0.99998 1.00000 1.00000 0.99997 1.00000
 0.99999 1.00000 1.00000 0.99999 1.00002
 0.99999 1.00000 1.00000 0.99998 0.99996
 1.00000 1.00001 1.00001 0.99999 1.00000
 0.99997 0.99999 0.99996 1.00001 1.00004
 0.99997

 Rtb_to_modes> RTB block-file is being read.
 Rtb_to_modes>    49068 lines found in RTB file.

 Norm of eigenvectors in cartesian coordinates (one expected):
 1.00001 1.00002 1.00000 0.99997 1.00002
 1.00000 0.99998 0.99999 1.00001 1.00003
 1.00000 1.00001 1.00001 1.00001 1.00000
 1.00000 0.99998 0.99998 0.99999 1.00002
 1.00001 1.00001 1.00003 1.00000 0.99998
 1.00001 1.00003 1.00000 1.00000 0.99997
 1.00004 1.00000 1.00000 0.99999 0.99999
 0.99999 0.99999 1.00001 0.99999 0.99998
 0.99999 1.00001 0.99999 1.00000 1.00000
 0.99995 0.99997 1.00000 0.99998 1.00002
 1.00001 1.00002 1.00002 0.99996 1.00002
 1.00002 1.00003 1.00000 1.00001 1.00001
 1.00004 1.00000 0.99999 1.00000 0.99998
 0.99999 1.00002 1.00002 1.00001 1.00001
 0.99999 1.00001 1.00001 1.00003 1.00000
 0.99998 0.99999 1.00000 1.00000 1.00000
 0.99998 1.00000 1.00000 0.99997 1.00000
 0.99999 1.00000 1.00000 0.99999 1.00002
 0.99999 1.00000 1.00000 0.99998 0.99996
 1.00000 1.00001 1.00001 0.99999 1.00000
 0.99997 0.99999 0.99996 1.00001 1.00004
 0.99997

 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> 240125110501333825.eigenfacs

 Openam> file on opening on unit     10:
 240125110501333825.eigenfacs                                    
 Getnam> Corresponding pdb filename ?
 Getnam> 240125110501333825.atom

 Openam> file on opening on unit     11:
 240125110501333825.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 =     85
            First residue number     =      1
            Last  residue number     =     85
            Number of atoms found    =   2726
            Mean number per residue  =     32.1

 Rdmodfacs> Old Blzpack file format detected.

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     1
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9886E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     2
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9903E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     3
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9938E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     4
 Rdmodfacs> Valeur propre du vecteur en lecture:  9.9992E-10

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     5
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0006E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     6
 Rdmodfacs> Valeur propre du vecteur en lecture:  1.0010E-09

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     7
 Rdmodfacs> Valeur propre du vecteur en lecture:  8.2964E-02

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     8
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.1240    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:     9
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.2522    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    10
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.3933    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    11
 Rdmodfacs> Valeur propre du vecteur en lecture:  0.6677    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    12
 Rdmodfacs> Valeur propre du vecteur en lecture:   1.298    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    13
 Rdmodfacs> Valeur propre du vecteur en lecture:   1.609    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    14
 Rdmodfacs> Valeur propre du vecteur en lecture:   2.073    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    15
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.693    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    16
 Rdmodfacs> Valeur propre du vecteur en lecture:   3.988    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    17
 Rdmodfacs> Valeur propre du vecteur en lecture:   4.494    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    18
 Rdmodfacs> Valeur propre du vecteur en lecture:   6.139    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    19
 Rdmodfacs> Valeur propre du vecteur en lecture:   7.878    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    20
 Rdmodfacs> Valeur propre du vecteur en lecture:   8.217    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    21
 Rdmodfacs> Valeur propre du vecteur en lecture:   8.761    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    22
 Rdmodfacs> Valeur propre du vecteur en lecture:   9.996    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    23
 Rdmodfacs> Valeur propre du vecteur en lecture:   12.18    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    24
 Rdmodfacs> Valeur propre du vecteur en lecture:   12.40    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    25
 Rdmodfacs> Valeur propre du vecteur en lecture:   15.96    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    26
 Rdmodfacs> Valeur propre du vecteur en lecture:   16.33    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    27
 Rdmodfacs> Valeur propre du vecteur en lecture:   18.22    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    28
 Rdmodfacs> Valeur propre du vecteur en lecture:   20.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    29
 Rdmodfacs> Valeur propre du vecteur en lecture:   20.85    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    30
 Rdmodfacs> Valeur propre du vecteur en lecture:   23.54    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    31
 Rdmodfacs> Valeur propre du vecteur en lecture:   24.45    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    32
 Rdmodfacs> Valeur propre du vecteur en lecture:   24.78    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    33
 Rdmodfacs> Valeur propre du vecteur en lecture:   27.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    34
 Rdmodfacs> Valeur propre du vecteur en lecture:   28.34    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    35
 Rdmodfacs> Valeur propre du vecteur en lecture:   29.49    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    36
 Rdmodfacs> Valeur propre du vecteur en lecture:   29.98    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    37
 Rdmodfacs> Valeur propre du vecteur en lecture:   31.38    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    38
 Rdmodfacs> Valeur propre du vecteur en lecture:   34.34    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    39
 Rdmodfacs> Valeur propre du vecteur en lecture:   35.22    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    40
 Rdmodfacs> Valeur propre du vecteur en lecture:   38.96    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    41
 Rdmodfacs> Valeur propre du vecteur en lecture:   39.31    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    42
 Rdmodfacs> Valeur propre du vecteur en lecture:   40.21    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    43
 Rdmodfacs> Valeur propre du vecteur en lecture:   40.77    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    44
 Rdmodfacs> Valeur propre du vecteur en lecture:   42.07    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    45
 Rdmodfacs> Valeur propre du vecteur en lecture:   43.73    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    46
 Rdmodfacs> Valeur propre du vecteur en lecture:   44.40    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    47
 Rdmodfacs> Valeur propre du vecteur en lecture:   46.12    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    48
 Rdmodfacs> Valeur propre du vecteur en lecture:   47.42    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    49
 Rdmodfacs> Valeur propre du vecteur en lecture:   48.09    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    50
 Rdmodfacs> Valeur propre du vecteur en lecture:   48.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    51
 Rdmodfacs> Valeur propre du vecteur en lecture:   51.58    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    52
 Rdmodfacs> Valeur propre du vecteur en lecture:   52.42    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    53
 Rdmodfacs> Valeur propre du vecteur en lecture:   53.61    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    54
 Rdmodfacs> Valeur propre du vecteur en lecture:   55.65    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    55
 Rdmodfacs> Valeur propre du vecteur en lecture:   57.28    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    56
 Rdmodfacs> Valeur propre du vecteur en lecture:   57.67    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    57
 Rdmodfacs> Valeur propre du vecteur en lecture:   58.41    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    58
 Rdmodfacs> Valeur propre du vecteur en lecture:   59.47    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    59
 Rdmodfacs> Valeur propre du vecteur en lecture:   60.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    60
 Rdmodfacs> Valeur propre du vecteur en lecture:   61.44    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    61
 Rdmodfacs> Valeur propre du vecteur en lecture:   62.45    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    62
 Rdmodfacs> Valeur propre du vecteur en lecture:   64.88    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    63
 Rdmodfacs> Valeur propre du vecteur en lecture:   66.89    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    64
 Rdmodfacs> Valeur propre du vecteur en lecture:   68.01    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    65
 Rdmodfacs> Valeur propre du vecteur en lecture:   68.56    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    66
 Rdmodfacs> Valeur propre du vecteur en lecture:   69.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    67
 Rdmodfacs> Valeur propre du vecteur en lecture:   72.16    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    68
 Rdmodfacs> Valeur propre du vecteur en lecture:   73.06    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    69
 Rdmodfacs> Valeur propre du vecteur en lecture:   74.24    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    70
 Rdmodfacs> Valeur propre du vecteur en lecture:   75.46    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    71
 Rdmodfacs> Valeur propre du vecteur en lecture:   76.05    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    72
 Rdmodfacs> Valeur propre du vecteur en lecture:   76.40    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    73
 Rdmodfacs> Valeur propre du vecteur en lecture:   77.79    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    74
 Rdmodfacs> Valeur propre du vecteur en lecture:   78.55    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    75
 Rdmodfacs> Valeur propre du vecteur en lecture:   79.06    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    76
 Rdmodfacs> Valeur propre du vecteur en lecture:   80.91    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    77
 Rdmodfacs> Valeur propre du vecteur en lecture:   81.85    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    78
 Rdmodfacs> Valeur propre du vecteur en lecture:   83.20    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    79
 Rdmodfacs> Valeur propre du vecteur en lecture:   84.13    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    80
 Rdmodfacs> Valeur propre du vecteur en lecture:   84.87    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    81
 Rdmodfacs> Valeur propre du vecteur en lecture:   86.33    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    82
 Rdmodfacs> Valeur propre du vecteur en lecture:   88.17    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    83
 Rdmodfacs> Valeur propre du vecteur en lecture:   89.39    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    84
 Rdmodfacs> Valeur propre du vecteur en lecture:   91.09    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    85
 Rdmodfacs> Valeur propre du vecteur en lecture:   91.27    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    86
 Rdmodfacs> Valeur propre du vecteur en lecture:   92.92    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    87
 Rdmodfacs> Valeur propre du vecteur en lecture:   94.03    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    88
 Rdmodfacs> Valeur propre du vecteur en lecture:   96.18    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    89
 Rdmodfacs> Valeur propre du vecteur en lecture:   98.21    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    90
 Rdmodfacs> Valeur propre du vecteur en lecture:   99.18    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    91
 Rdmodfacs> Valeur propre du vecteur en lecture:   99.89    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    92
 Rdmodfacs> Valeur propre du vecteur en lecture:   101.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    93
 Rdmodfacs> Valeur propre du vecteur en lecture:   104.0    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    94
 Rdmodfacs> Valeur propre du vecteur en lecture:   105.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    95
 Rdmodfacs> Valeur propre du vecteur en lecture:   105.8    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    96
 Rdmodfacs> Valeur propre du vecteur en lecture:   106.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    97
 Rdmodfacs> Valeur propre du vecteur en lecture:   107.3    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    98
 Rdmodfacs> Valeur propre du vecteur en lecture:   108.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:    99
 Rdmodfacs> Valeur propre du vecteur en lecture:   109.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   100
 Rdmodfacs> Valeur propre du vecteur en lecture:   110.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   101
 Rdmodfacs> Valeur propre du vecteur en lecture:   110.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   102
 Rdmodfacs> Valeur propre du vecteur en lecture:   113.4    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   103
 Rdmodfacs> Valeur propre du vecteur en lecture:   114.6    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   104
 Rdmodfacs> Valeur propre du vecteur en lecture:   115.2    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   105
 Rdmodfacs> Valeur propre du vecteur en lecture:   117.1    

 Rdmodfacs> Numero du vecteur CERFACS en lecture:   106
 Rdmodfacs> Valeur propre du vecteur en lecture:   117.5    

 Bfactors>  106 vectors,   8178 coordinates in file.

 Openam> file on opening on unit     12:
 bfactors.pred                                                   

 Bfactors> Best zero-eigenvalue found  :     0.000000
 Bfactors>     6 eigenvalues less than :     0.000000
 Bfactors> Lowest non-zero eigenvalue  :     0.082964
 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-Wn>     0 negative values found in the B-factors column of pdb file.
%Bfactors-Wn> So, only mass-weighted predicted B-factors will be saved.
          (CHARMM units assumed for eigenvalues)

 Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240125110501333825 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=0
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=100
240125110501333825.eigenfacs
240125110501333825.atom
making animated gifs
11 models are in 240125110501333825.7.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 240125110501333825.7.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 240125110501333825.7.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 240125110501333825 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=0
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=100
240125110501333825.eigenfacs
240125110501333825.atom
making animated gifs
11 models are in 240125110501333825.8.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 240125110501333825.8.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 240125110501333825.8.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 240125110501333825 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=0
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=100
240125110501333825.eigenfacs
240125110501333825.atom
making animated gifs
11 models are in 240125110501333825.9.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 240125110501333825.9.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 240125110501333825.9.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 240125110501333825 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=0
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=100
240125110501333825.eigenfacs
240125110501333825.atom
making animated gifs
11 models are in 240125110501333825.10.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 240125110501333825.10.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 240125110501333825.10.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 240125110501333825 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=-20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=0
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=20
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=40
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=60
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=80
240125110501333825.eigenfacs
240125110501333825.atom
calculating perturbed structure for DQ=100
240125110501333825.eigenfacs
240125110501333825.atom
making animated gifs
11 models are in 240125110501333825.11.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 240125110501333825.11.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 240125110501333825.11.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
240125110501333825.10.pdb
240125110501333825.11.pdb
240125110501333825.7.pdb
240125110501333825.8.pdb
240125110501333825.9.pdb



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

real	0m5.627s
user	0m5.504s
sys	0m0.040s
../../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: 240125110501333825.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.

*** rnv66-del5-1 ***

LOGs for ID: 240125110501333825

output from eigenvector calculation:

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

* rnv66-del5-1 *
