*** galectin1 (dimero con lactosa) ***
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 = 2404011117011820460.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 2404011117011820460.atom to be opened.
Openam> File opened: 2404011117011820460.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 = 267
First residue number = 1001
Last residue number = 2134
Number of atoms found = 2052
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 16.750611 +/- 9.539800 From: -5.823000 To: 39.589000
= 43.491129 +/- 13.114058 From: 17.715000 To: 70.752000
= 32.052181 +/- 11.220325 From: 7.891000 To: 55.758000
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 4.0820 % Filled.
Pdbmat> 773582 non-zero elements.
Pdbmat> 84600 atom-atom interactions.
Pdbmat> Number per atom= 82.46 +/- 21.57
Maximum number = 126
Minimum number = 17
Pdbmat> Matrix trace = 1.692000E+06
Pdbmat> Larger element = 488.046
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
267 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 = 2404011117011820460.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 2404011117011820460.atom to be opened.
Openam> file on opening on unit 11:
2404011117011820460.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2052 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> 267 residues.
Blocpdb> 11 atoms in block 1
Block first atom: 1
Blocpdb> 12 atoms in block 2
Block first atom: 12
Blocpdb> 12 atoms in block 3
Block first atom: 24
Blocpdb> 14 atoms in block 4
Block first atom: 36
Blocpdb> 16 atoms in block 5
Block first atom: 50
Blocpdb> 17 atoms in block 6
Block first atom: 66
Blocpdb> 11 atoms in block 7
Block first atom: 83
Blocpdb> 9 atoms in block 8
Block first atom: 94
Blocpdb> 19 atoms in block 9
Block first atom: 103
Blocpdb> 18 atoms in block 10
Block first atom: 122
Blocpdb> 13 atoms in block 11
Block first atom: 140
Blocpdb> 12 atoms in block 12
Block first atom: 153
Blocpdb> 15 atoms in block 13
Block first atom: 165
Blocpdb> 14 atoms in block 14
Block first atom: 180
Blocpdb> 17 atoms in block 15
Block first atom: 194
Blocpdb> 15 atoms in block 16
Block first atom: 211
Blocpdb> 16 atoms in block 17
Block first atom: 226
Blocpdb> 13 atoms in block 18
Block first atom: 242
Blocpdb> 14 atoms in block 19
Block first atom: 255
Blocpdb> 16 atoms in block 20
Block first atom: 269
Blocpdb> 14 atoms in block 21
Block first atom: 285
Blocpdb> 18 atoms in block 22
Block first atom: 299
Blocpdb> 19 atoms in block 23
Block first atom: 317
Blocpdb> 18 atoms in block 24
Block first atom: 336
Blocpdb> 19 atoms in block 25
Block first atom: 354
Blocpdb> 15 atoms in block 26
Block first atom: 373
Blocpdb> 12 atoms in block 27
Block first atom: 388
Blocpdb> 13 atoms in block 28
Block first atom: 400
Blocpdb> 15 atoms in block 29
Block first atom: 413
Blocpdb> 13 atoms in block 30
Block first atom: 428
Blocpdb> 14 atoms in block 31
Block first atom: 441
Blocpdb> 17 atoms in block 32
Block first atom: 455
Blocpdb> 12 atoms in block 33
Block first atom: 472
Blocpdb> 19 atoms in block 34
Block first atom: 484
Blocpdb> 11 atoms in block 35
Block first atom: 503
Blocpdb> 18 atoms in block 36
Block first atom: 514
Blocpdb> 20 atoms in block 37
Block first atom: 532
Blocpdb> 12 atoms in block 38
Block first atom: 552
Blocpdb> 18 atoms in block 39
Block first atom: 564
Blocpdb> 20 atoms in block 40
Block first atom: 582
Blocpdb> 11 atoms in block 41
Block first atom: 602
Blocpdb> 13 atoms in block 42
Block first atom: 613
Blocpdb> 14 atoms in block 43
Block first atom: 626
Blocpdb> 13 atoms in block 44
Block first atom: 640
Blocpdb> 15 atoms in block 45
Block first atom: 653
Blocpdb> 19 atoms in block 46
Block first atom: 668
Blocpdb> 14 atoms in block 47
Block first atom: 687
Blocpdb> 16 atoms in block 48
Block first atom: 701
Blocpdb> 14 atoms in block 49
Block first atom: 717
Blocpdb> 17 atoms in block 50
Block first atom: 731
Blocpdb> 15 atoms in block 51
Block first atom: 748
Blocpdb> 16 atoms in block 52
Block first atom: 763
Blocpdb> 20 atoms in block 53
Block first atom: 779
Blocpdb> 20 atoms in block 54
Block first atom: 799
Blocpdb> 15 atoms in block 55
Block first atom: 819
Blocpdb> 19 atoms in block 56
Block first atom: 834
Blocpdb> 16 atoms in block 57
Block first atom: 853
Blocpdb> 14 atoms in block 58
Block first atom: 869
Blocpdb> 16 atoms in block 59
Block first atom: 883
Blocpdb> 20 atoms in block 60
Block first atom: 899
Blocpdb> 10 atoms in block 61
Block first atom: 919
Blocpdb> 12 atoms in block 62
Block first atom: 929
Blocpdb> 19 atoms in block 63
Block first atom: 941
Blocpdb> 17 atoms in block 64
Block first atom: 960
Blocpdb> 15 atoms in block 65
Block first atom: 977
Blocpdb> 12 atoms in block 66
Block first atom: 992
Blocpdb> 20 atoms in block 67
Block first atom: 1004
Blocpdb> 11 atoms in block 68
Block first atom: 1024
Blocpdb> 12 atoms in block 69
Block first atom: 1035
Blocpdb> 12 atoms in block 70
Block first atom: 1047
Blocpdb> 14 atoms in block 71
Block first atom: 1059
Blocpdb> 16 atoms in block 72
Block first atom: 1073
Blocpdb> 17 atoms in block 73
Block first atom: 1089
Blocpdb> 11 atoms in block 74
Block first atom: 1106
Blocpdb> 15 atoms in block 75
Block first atom: 1117
Blocpdb> 19 atoms in block 76
Block first atom: 1132
Blocpdb> 18 atoms in block 77
Block first atom: 1151
Blocpdb> 13 atoms in block 78
Block first atom: 1169
Blocpdb> 12 atoms in block 79
Block first atom: 1182
Blocpdb> 15 atoms in block 80
Block first atom: 1194
Blocpdb> 14 atoms in block 81
Block first atom: 1209
Blocpdb> 17 atoms in block 82
Block first atom: 1223
Blocpdb> 15 atoms in block 83
Block first atom: 1240
Blocpdb> 16 atoms in block 84
Block first atom: 1255
Blocpdb> 13 atoms in block 85
Block first atom: 1271
Blocpdb> 14 atoms in block 86
Block first atom: 1284
Blocpdb> 16 atoms in block 87
Block first atom: 1298
Blocpdb> 14 atoms in block 88
Block first atom: 1314
Blocpdb> 18 atoms in block 89
Block first atom: 1328
Blocpdb> 19 atoms in block 90
Block first atom: 1346
Blocpdb> 18 atoms in block 91
Block first atom: 1365
Blocpdb> 19 atoms in block 92
Block first atom: 1383
Blocpdb> 15 atoms in block 93
Block first atom: 1402
Blocpdb> 12 atoms in block 94
Block first atom: 1417
Blocpdb> 13 atoms in block 95
Block first atom: 1429
Blocpdb> 15 atoms in block 96
Block first atom: 1442
Blocpdb> 13 atoms in block 97
Block first atom: 1457
Blocpdb> 14 atoms in block 98
Block first atom: 1470
Blocpdb> 17 atoms in block 99
Block first atom: 1484
Blocpdb> 12 atoms in block 100
Block first atom: 1501
Blocpdb> 19 atoms in block 101
Block first atom: 1513
Blocpdb> 11 atoms in block 102
Block first atom: 1532
Blocpdb> 18 atoms in block 103
Block first atom: 1543
Blocpdb> 20 atoms in block 104
Block first atom: 1561
Blocpdb> 12 atoms in block 105
Block first atom: 1581
Blocpdb> 18 atoms in block 106
Block first atom: 1593
Blocpdb> 20 atoms in block 107
Block first atom: 1611
Blocpdb> 11 atoms in block 108
Block first atom: 1631
Blocpdb> 13 atoms in block 109
Block first atom: 1642
Blocpdb> 14 atoms in block 110
Block first atom: 1655
Blocpdb> 13 atoms in block 111
Block first atom: 1669
Blocpdb> 15 atoms in block 112
Block first atom: 1682
Blocpdb> 19 atoms in block 113
Block first atom: 1697
Blocpdb> 14 atoms in block 114
Block first atom: 1716
Blocpdb> 16 atoms in block 115
Block first atom: 1730
Blocpdb> 14 atoms in block 116
Block first atom: 1746
Blocpdb> 17 atoms in block 117
Block first atom: 1760
Blocpdb> 15 atoms in block 118
Block first atom: 1777
Blocpdb> 16 atoms in block 119
Block first atom: 1792
Blocpdb> 20 atoms in block 120
Block first atom: 1808
Blocpdb> 20 atoms in block 121
Block first atom: 1828
Blocpdb> 15 atoms in block 122
Block first atom: 1848
Blocpdb> 19 atoms in block 123
Block first atom: 1863
Blocpdb> 16 atoms in block 124
Block first atom: 1882
Blocpdb> 14 atoms in block 125
Block first atom: 1898
Blocpdb> 16 atoms in block 126
Block first atom: 1912
Blocpdb> 20 atoms in block 127
Block first atom: 1928
Blocpdb> 10 atoms in block 128
Block first atom: 1948
Blocpdb> 12 atoms in block 129
Block first atom: 1958
Blocpdb> 19 atoms in block 130
Block first atom: 1970
Blocpdb> 17 atoms in block 131
Block first atom: 1989
Blocpdb> 15 atoms in block 132
Block first atom: 2006
Blocpdb> 12 atoms in block 133
Block first atom: 2021
Blocpdb> 20 atoms in block 134
Block first atom: 2032
Blocpdb> 134 blocks.
Blocpdb> At most, 20 atoms in each of them.
Blocpdb> At least, 9 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> 773716 matrix lines read.
Prepmat> Matrix order = 6156
Prepmat> Matrix trace = 1692000.0000
Prepmat> Last element read: 6156 6156 212.2350
Prepmat> 9046 lines saved.
Prepmat> 7615 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: 2052
RTB> Total mass = 2052.0000
RTB> Number of atoms found in matrix: 2052
RTB> Number of blocks = 134
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 187249.4497
RTB> 49470 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 = 804
Diagstd> Nb of non-zero elements: 49470
Diagstd> Projected matrix trace = 187249.4497
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 804 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 187249.4497
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.6945711 2.0445701 2.6283555 6.5794923
6.8767714 8.6429342 11.0723023 11.9662424 12.4258259
13.2544619 15.1138733 18.9353190 20.0014117 22.5580578
24.6204732 25.2700609 26.3328077 26.5959108 26.8600172
27.0735386 28.6142828 30.5972528 31.3253750 32.3321152
33.3140519 34.2565495 34.6755639 35.3680878 35.5443021
36.5403273 37.4543248 38.0242693 39.3521547 39.4531965
40.9859299 42.3172478 42.5552573 43.3490372 45.0297841
46.2898307 46.9475724 47.8795998 49.7885163 50.2537839
51.0891723 52.0291054 53.2262040 53.7967351 55.5486934
56.1731499 56.5499615 57.2830301 58.5787184 58.9651479
60.1830301 61.0096148 62.3114315 62.4939049 63.7285921
64.4901155 64.8027238 66.7179267 67.2281446 68.1183303
68.5100564 69.7845860 70.1802114 71.3603171 71.7640539
72.9184847 73.0512881 73.8712040 74.6393107 75.0010227
75.8285825 76.3039761 76.6289864 77.6787466 77.8406036
79.0779545 79.7225609 80.1828986 81.1087005 82.5016914
82.9326169 84.0653913 84.7233716 84.9470274 86.0567337
86.7879768 87.9917726 88.4561846 89.2856969 89.3406506
89.8755806 91.2477924 91.6042700 92.7889943 92.9369052
93.6085540
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034335 0.0034339 0.0034341 0.0034344
0.0034347 141.3595590 155.2731203 176.0505293 278.5425013
284.7656327 319.2463077 361.3385089 375.6420295 382.7876458
395.3450729 422.1659183 472.5324014 485.6524731 515.7581896
538.8197155 545.8815608 557.2420285 560.0189385 562.7926585
565.0251662 580.8803863 600.6707687 607.7758224 617.4649911
626.7711667 635.5754135 639.4506697 645.8045051 647.4113011
656.4195341 664.5784684 669.6158404 681.2076852 682.0816687
695.2046632 706.4053625 708.3891335 714.9653725 728.6940321
738.8190358 744.0495364 751.3988675 766.2312712 769.8031151
776.1751133 783.2825650 792.2423012 796.4770013 809.3422346
813.8786746 816.6038762 821.8797342 831.1228321 833.8596833
842.4270537 848.1924877 857.1940435 858.4482334 866.8869045
872.0509461 874.1619739 886.9855635 890.3706653 896.2460970
898.8194110 907.1414956 909.7092621 917.3259216 919.9172489
927.2868433 928.1308735 933.3249357 938.1647051 940.4351931
945.6093308 948.5688633 950.5868908 957.0759097 958.0725072
965.6572238 969.5850284 972.3803101 977.9778126 986.3401377
988.9127246 995.6435844 999.5324440 1000.8508750 1007.3669761
1011.6378324 1018.6296505 1021.3142270 1026.0918230 1026.4075448
1029.4757828 1037.3049812 1039.3292245 1046.0284916 1046.8618742
1050.6378645
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2052
Rtb_to_modes> Number of blocs = 134
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: 9.9944E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9971E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9998E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.695
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.045
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.628
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 6.579
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.877
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 8.643
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 11.07
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 11.97
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 12.43
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 13.25
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 15.11
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 18.94
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 20.00
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 22.56
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 24.62
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 25.27
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 26.33
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 26.60
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 26.86
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 27.07
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 28.61
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 30.60
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 31.33
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 32.33
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 33.31
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 34.26
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 34.68
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 35.37
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 35.54
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 36.54
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 37.45
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 38.02
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 39.35
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 39.45
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 40.99
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 42.32
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 42.56
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 43.35
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 45.03
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 46.29
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 46.95
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 47.88
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 49.79
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 50.25
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 51.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 52.03
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 53.23
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 53.80
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 55.55
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 56.17
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 56.55
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 57.28
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 58.58
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 58.97
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 60.18
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 61.01
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 62.31
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 62.49
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 63.73
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 64.49
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 64.80
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 66.72
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 67.23
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 68.12
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 68.51
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 69.78
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 70.18
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 71.36
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 71.76
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 72.92
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 73.05
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 73.87
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 74.64
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 75.00
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 75.83
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 76.30
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 76.63
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 77.68
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 77.84
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 79.08
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 79.72
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 80.18
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 81.11
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 82.50
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 82.93
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 84.07
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 84.72
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 84.95
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 86.06
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 86.79
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 87.99
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 88.46
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 89.29
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 89.34
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 89.88
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 91.25
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 91.60
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 92.79
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 92.94
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 93.61
Rtb_to_modes> 106 vectors, with 804 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 0.99999 1.00000 0.99998
1.00001 0.99999 0.99998 1.00000 0.99999
1.00000 1.00001 1.00004 1.00000 0.99999
0.99997 1.00001 0.99997 0.99998 1.00000
0.99999 1.00000 0.99999 0.99997 0.99999
1.00000 1.00001 1.00001 1.00003 1.00001
0.99997 1.00002 1.00000 0.99998 1.00002
1.00002 1.00001 1.00002 1.00001 1.00000
0.99999 1.00002 1.00003 0.99997 1.00000
1.00000 0.99999 1.00001 1.00001 0.99999
1.00001 1.00000 1.00001 0.99998 1.00000
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00000 1.00001 1.00001 0.99999
1.00001 0.99999 1.00000 0.99998 1.00000
0.99999 1.00002 1.00001 1.00001 1.00001
1.00002 0.99999 1.00000 1.00003 0.99998
0.99998 0.99997 1.00000 1.00001 0.99999
0.99999 1.00002 0.99999 1.00001 1.00002
0.99996 0.99999 0.99998 1.00000 0.99998
1.00000 1.00000 1.00001 1.00000 1.00002
0.99999 1.00001 1.00000 1.00001 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 36936 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 0.99999 1.00000 0.99998
1.00001 0.99999 0.99998 1.00000 0.99999
1.00000 1.00001 1.00004 1.00000 0.99999
0.99997 1.00001 0.99997 0.99998 1.00000
0.99999 1.00000 0.99999 0.99997 0.99999
1.00000 1.00001 1.00001 1.00003 1.00001
0.99997 1.00002 1.00000 0.99998 1.00002
1.00002 1.00001 1.00002 1.00001 1.00000
0.99999 1.00002 1.00003 0.99997 1.00000
1.00000 0.99999 1.00001 1.00001 0.99999
1.00001 1.00000 1.00001 0.99998 1.00000
1.00000 1.00000 0.99999 0.99999 1.00000
1.00000 1.00000 1.00001 1.00001 0.99999
1.00001 0.99999 1.00000 0.99998 1.00000
0.99999 1.00002 1.00001 1.00001 1.00001
1.00002 0.99999 1.00000 1.00003 0.99998
0.99998 0.99997 1.00000 1.00001 0.99999
0.99999 1.00002 0.99999 1.00001 1.00002
0.99996 0.99999 0.99998 1.00000 0.99998
1.00000 1.00000 1.00001 1.00000 1.00002
0.99999 1.00001 1.00000 1.00001 0.99999
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4:-0.000-0.000 0.000
Vector 5: 0.000 0.000-0.000 0.000
Vector 6: 0.000-0.000-0.000-0.000 0.000
Vector 7:-0.000 0.000 0.000-0.000-0.000 0.000
Vector 8: 0.000 0.000 0.000-0.000 0.000-0.000-0.000
Vector 9: 0.000 0.000-0.000 0.000 0.000-0.000-0.000-0.000
Vector 10: 0.000-0.000-0.000 0.000 0.000 0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404011117011820460.eigenfacs
Openam> file on opening on unit 10:
2404011117011820460.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404011117011820460.atom
Openam> file on opening on unit 11:
2404011117011820460.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 = 267
First residue number = 1001
Last residue number = 2134
Number of atoms found = 2052
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9944E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9971E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9998E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.695
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.628
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 6.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.877
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 8.643
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 11.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 11.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 12.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 13.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 15.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 18.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 20.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 22.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 24.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 25.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 26.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 26.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 26.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 27.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 28.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 30.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 31.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 32.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 33.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 34.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 34.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 35.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 35.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 36.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 37.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 38.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 39.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 39.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 40.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 42.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 42.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 43.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 45.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 46.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 46.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 47.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 49.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 50.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 51.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 52.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 53.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 53.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 55.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 56.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 56.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 57.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 58.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 58.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 60.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 61.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 62.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 62.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 63.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 64.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 64.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 66.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 67.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 68.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 68.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 69.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 70.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 71.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 71.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 72.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 73.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 73.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 74.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 75.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 75.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 76.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 76.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 77.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 77.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 79.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 79.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 80.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 81.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 82.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 82.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 84.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 84.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 84.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 86.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 86.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 87.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 88.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 89.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 89.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 89.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 91.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 91.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 92.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 92.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 93.61
Bfactors> 106 vectors, 6156 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.695000
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= 0.422 for 267 C-alpha atoms.
Bfactors> = 0.029 +/- 0.02
Bfactors> = 14.758 +/- 6.15
Bfactors> Shiftng-fct= 14.729
Bfactors> Scaling-fct= 263.301
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404011117011820460 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=0
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=100
2404011117011820460.eigenfacs
2404011117011820460.atom
making animated gifs
11 models are in 2404011117011820460.7.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 2404011117011820460.7.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 2404011117011820460.7.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 2404011117011820460 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=0
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=100
2404011117011820460.eigenfacs
2404011117011820460.atom
making animated gifs
11 models are in 2404011117011820460.8.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 2404011117011820460.8.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 2404011117011820460.8.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 2404011117011820460 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=0
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=100
2404011117011820460.eigenfacs
2404011117011820460.atom
making animated gifs
11 models are in 2404011117011820460.9.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 2404011117011820460.9.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 2404011117011820460.9.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 2404011117011820460 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=0
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=100
2404011117011820460.eigenfacs
2404011117011820460.atom
making animated gifs
11 models are in 2404011117011820460.10.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 2404011117011820460.10.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 2404011117011820460.10.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 2404011117011820460 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=-20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=0
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=20
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=40
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=60
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=80
2404011117011820460.eigenfacs
2404011117011820460.atom
calculating perturbed structure for DQ=100
2404011117011820460.eigenfacs
2404011117011820460.atom
making animated gifs
11 models are in 2404011117011820460.11.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 2404011117011820460.11.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 2404011117011820460.11.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
2404011117011820460.10.pdb
2404011117011820460.11.pdb
2404011117011820460.7.pdb
2404011117011820460.8.pdb
2404011117011820460.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.871s
user 0m8.831s
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: 2404011117011820460.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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