*** HYDROLASE 01-FEB-75 1LYZ ***
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 = 2404221630241904959.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 2404221630241904959.atom to be opened.
Openam> File opened: 2404221630241904959.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 = 129
First residue number = 1
Last residue number = 129
Number of atoms found = 1001
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -0.533295 +/- 8.177109 From: -18.062000 To: 20.567000
= 20.603834 +/- 7.214900 From: 6.130000 To: 38.892000
= 19.201616 +/- 8.718592 From: -3.143000 To: 40.987000
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 7.9355 % Filled.
Pdbmat> 357932 non-zero elements.
Pdbmat> 39648 atom-atom interactions.
Pdbmat> Number per atom= 79.22 +/- 23.19
Maximum number = 129
Minimum number = 11
Pdbmat> Matrix trace = 792960.
Pdbmat> Larger element = 492.058
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
129 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 = 2404221630241904959.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 2404221630241904959.atom to be opened.
Openam> file on opening on unit 11:
2404221630241904959.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1001 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> 129 residues.
Blocpdb> 9 atoms in block 1
Block first atom: 1
Blocpdb> 7 atoms in block 2
Block first atom: 10
Blocpdb> 11 atoms in block 3
Block first atom: 17
Blocpdb> 4 atoms in block 4
Block first atom: 28
Blocpdb> 11 atoms in block 5
Block first atom: 32
Blocpdb> 6 atoms in block 6
Block first atom: 43
Blocpdb> 9 atoms in block 7
Block first atom: 49
Blocpdb> 8 atoms in block 8
Block first atom: 58
Blocpdb> 5 atoms in block 9
Block first atom: 66
Blocpdb> 5 atoms in block 10
Block first atom: 71
Blocpdb> 5 atoms in block 11
Block first atom: 76
Blocpdb> 8 atoms in block 12
Block first atom: 81
Blocpdb> 9 atoms in block 13
Block first atom: 89
Blocpdb> 11 atoms in block 14
Block first atom: 98
Blocpdb> 10 atoms in block 15
Block first atom: 109
Blocpdb> 4 atoms in block 16
Block first atom: 119
Blocpdb> 8 atoms in block 17
Block first atom: 123
Blocpdb> 8 atoms in block 18
Block first atom: 131
Blocpdb> 8 atoms in block 19
Block first atom: 139
Blocpdb> 12 atoms in block 20
Block first atom: 147
Blocpdb> 11 atoms in block 21
Block first atom: 159
Blocpdb> 4 atoms in block 22
Block first atom: 170
Blocpdb> 12 atoms in block 23
Block first atom: 174
Blocpdb> 6 atoms in block 24
Block first atom: 186
Blocpdb> 8 atoms in block 25
Block first atom: 192
Blocpdb> 4 atoms in block 26
Block first atom: 200
Blocpdb> 8 atoms in block 27
Block first atom: 204
Blocpdb> 14 atoms in block 28
Block first atom: 212
Blocpdb> 7 atoms in block 29
Block first atom: 226
Blocpdb> 6 atoms in block 30
Block first atom: 233
Blocpdb> 5 atoms in block 31
Block first atom: 239
Blocpdb> 5 atoms in block 32
Block first atom: 244
Blocpdb> 9 atoms in block 33
Block first atom: 249
Blocpdb> 11 atoms in block 34
Block first atom: 258
Blocpdb> 9 atoms in block 35
Block first atom: 269
Blocpdb> 6 atoms in block 36
Block first atom: 278
Blocpdb> 8 atoms in block 37
Block first atom: 284
Blocpdb> 11 atoms in block 38
Block first atom: 292
Blocpdb> 8 atoms in block 39
Block first atom: 303
Blocpdb> 7 atoms in block 40
Block first atom: 311
Blocpdb> 9 atoms in block 41
Block first atom: 318
Blocpdb> 5 atoms in block 42
Block first atom: 327
Blocpdb> 7 atoms in block 43
Block first atom: 332
Blocpdb> 8 atoms in block 44
Block first atom: 339
Blocpdb> 11 atoms in block 45
Block first atom: 347
Blocpdb> 8 atoms in block 46
Block first atom: 358
Blocpdb> 7 atoms in block 47
Block first atom: 366
Blocpdb> 8 atoms in block 48
Block first atom: 373
Blocpdb> 4 atoms in block 49
Block first atom: 381
Blocpdb> 6 atoms in block 50
Block first atom: 385
Blocpdb> 7 atoms in block 51
Block first atom: 391
Blocpdb> 8 atoms in block 52
Block first atom: 398
Blocpdb> 12 atoms in block 53
Block first atom: 406
Blocpdb> 4 atoms in block 54
Block first atom: 418
Blocpdb> 8 atoms in block 55
Block first atom: 422
Blocpdb> 8 atoms in block 56
Block first atom: 430
Blocpdb> 9 atoms in block 57
Block first atom: 438
Blocpdb> 8 atoms in block 58
Block first atom: 447
Blocpdb> 8 atoms in block 59
Block first atom: 455
Blocpdb> 6 atoms in block 60
Block first atom: 463
Blocpdb> 11 atoms in block 61
Block first atom: 469
Blocpdb> 14 atoms in block 62
Block first atom: 480
Blocpdb> 14 atoms in block 63
Block first atom: 494
Blocpdb> 6 atoms in block 64
Block first atom: 508
Blocpdb> 8 atoms in block 65
Block first atom: 514
Blocpdb> 8 atoms in block 66
Block first atom: 522
Blocpdb> 4 atoms in block 67
Block first atom: 530
Blocpdb> 11 atoms in block 68
Block first atom: 534
Blocpdb> 7 atoms in block 69
Block first atom: 545
Blocpdb> 7 atoms in block 70
Block first atom: 552
Blocpdb> 4 atoms in block 71
Block first atom: 559
Blocpdb> 6 atoms in block 72
Block first atom: 563
Blocpdb> 11 atoms in block 73
Block first atom: 569
Blocpdb> 8 atoms in block 74
Block first atom: 580
Blocpdb> 8 atoms in block 75
Block first atom: 588
Blocpdb> 6 atoms in block 76
Block first atom: 596
Blocpdb> 8 atoms in block 77
Block first atom: 602
Blocpdb> 8 atoms in block 78
Block first atom: 610
Blocpdb> 7 atoms in block 79
Block first atom: 618
Blocpdb> 6 atoms in block 80
Block first atom: 625
Blocpdb> 6 atoms in block 81
Block first atom: 631
Blocpdb> 5 atoms in block 82
Block first atom: 637
Blocpdb> 8 atoms in block 83
Block first atom: 642
Blocpdb> 8 atoms in block 84
Block first atom: 650
Blocpdb> 6 atoms in block 85
Block first atom: 658
Blocpdb> 6 atoms in block 86
Block first atom: 664
Blocpdb> 8 atoms in block 87
Block first atom: 670
Blocpdb> 8 atoms in block 88
Block first atom: 678
Blocpdb> 7 atoms in block 89
Block first atom: 686
Blocpdb> 5 atoms in block 90
Block first atom: 693
Blocpdb> 6 atoms in block 91
Block first atom: 698
Blocpdb> 7 atoms in block 92
Block first atom: 704
Blocpdb> 8 atoms in block 93
Block first atom: 711
Blocpdb> 6 atoms in block 94
Block first atom: 719
Blocpdb> 5 atoms in block 95
Block first atom: 725
Blocpdb> 9 atoms in block 96
Block first atom: 730
Blocpdb> 9 atoms in block 97
Block first atom: 739
Blocpdb> 8 atoms in block 98
Block first atom: 748
Blocpdb> 7 atoms in block 99
Block first atom: 756
Blocpdb> 6 atoms in block 100
Block first atom: 763
Blocpdb> 8 atoms in block 101
Block first atom: 769
Blocpdb> 4 atoms in block 102
Block first atom: 777
Blocpdb> 8 atoms in block 103
Block first atom: 781
Blocpdb> 4 atoms in block 104
Block first atom: 789
Blocpdb> 8 atoms in block 105
Block first atom: 793
Blocpdb> 8 atoms in block 106
Block first atom: 801
Blocpdb> 5 atoms in block 107
Block first atom: 809
Blocpdb> 14 atoms in block 108
Block first atom: 814
Blocpdb> 7 atoms in block 109
Block first atom: 828
Blocpdb> 5 atoms in block 110
Block first atom: 835
Blocpdb> 14 atoms in block 111
Block first atom: 840
Blocpdb> 11 atoms in block 112
Block first atom: 854
Blocpdb> 8 atoms in block 113
Block first atom: 865
Blocpdb> 11 atoms in block 114
Block first atom: 873
Blocpdb> 6 atoms in block 115
Block first atom: 884
Blocpdb> 9 atoms in block 116
Block first atom: 890
Blocpdb> 4 atoms in block 117
Block first atom: 899
Blocpdb> 7 atoms in block 118
Block first atom: 903
Blocpdb> 8 atoms in block 119
Block first atom: 910
Blocpdb> 7 atoms in block 120
Block first atom: 918
Blocpdb> 9 atoms in block 121
Block first atom: 925
Blocpdb> 5 atoms in block 122
Block first atom: 934
Blocpdb> 14 atoms in block 123
Block first atom: 939
Blocpdb> 8 atoms in block 124
Block first atom: 953
Blocpdb> 11 atoms in block 125
Block first atom: 961
Blocpdb> 4 atoms in block 126
Block first atom: 972
Blocpdb> 6 atoms in block 127
Block first atom: 976
Blocpdb> 11 atoms in block 128
Block first atom: 982
Blocpdb> 9 atoms in block 129
Block first atom: 992
Blocpdb> 129 blocks.
Blocpdb> At most, 14 atoms in each of them.
Blocpdb> At least, 4 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 358061 matrix lines read.
Prepmat> Matrix order = 3003
Prepmat> Matrix trace = 792960.0000
Prepmat> Last element read: 3003 3003 139.5602
Prepmat> 8386 lines saved.
Prepmat> 6787 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: 1001
RTB> Total mass = 1001.0000
RTB> Number of atoms found in matrix: 1001
RTB> Number of blocks = 129
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 187604.5273
RTB> 55582 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 = 774
Diagstd> Nb of non-zero elements: 55582
Diagstd> Projected matrix trace = 187604.5273
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 774 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 187604.5273
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 3.5034749 4.0336117 5.1169644 8.5484257
11.3894079 15.0630664 16.2900498 16.5447679 18.8177811
20.8994118 21.8603375 22.8788862 25.9891162 27.4770445
28.5388041 29.3603475 30.5882614 31.7158495 32.4128994
33.9229020 35.1895830 36.6792897 37.7623276 39.0104535
39.7797178 40.6123121 42.9029421 43.8094848 44.9506954
45.9458750 47.3309136 48.5845107 50.2708887 50.8159239
52.8939781 53.3507535 53.9945950 56.2270609 56.5234576
57.5662018 58.2555724 59.3986868 59.8143840 62.5522309
62.7738514 64.1922382 66.0356778 66.6647791 67.1231597
68.0564084 69.0078301 69.4623610 71.2164055 71.3278908
72.3925320 72.6918996 74.6689549 75.0357090 76.4163760
76.8220747 77.3802657 77.9948190 79.0428112 79.9806066
80.3709271 81.9545344 82.1530922 82.7995668 83.9809783
84.1625271 85.4110450 86.1726788 86.7563132 88.4633530
88.9928232 90.0430335 90.4550440 91.9420223 92.1183484
92.8004797 93.3074167 95.1237613 95.5566380 95.9618254
97.4676602 98.0698585 99.4274015 100.4836408 101.4532811
101.6707105 102.2382218 103.1384976 104.0388044 104.7066623
105.7394794 106.7050575 107.2748074 109.0999507 109.6401679
110.3612849
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034338 0.0034339 0.0034340 0.0034342 0.0034355
0.0034358 203.2566601 218.0933003 245.6413519 317.4960681
366.4762658 421.4557424 438.2848781 441.6981900 471.0635344
496.4349078 507.7193453 519.4128859 553.5935678 569.2201802
580.1137577 588.4043512 600.5825044 611.5520893 618.2359005
632.4726927 644.1727375 657.6665273 667.3054285 678.2437180
684.8983648 692.0287504 711.2770856 718.7524754 728.0538245
736.0690276 747.0810559 756.9099196 769.9341122 774.0966596
789.7659319 793.1686843 797.9403452 814.2691323 816.4124907
823.9086607 828.8272423 836.9195292 839.8429820 858.8487379
860.3688294 870.0346307 882.4388096 886.6322058 889.6751830
895.8386453 902.0787781 905.0447441 916.4004741 917.1174803
923.9365842 925.8450079 938.3509902 940.6526328 949.2672527
951.7837727 955.2353562 959.0210891 965.4426249 971.1529353
973.5197559 983.0639579 984.2541114 988.1191420 995.1435789
996.2186413 1003.5806940 1008.0453654 1011.4532731 1021.3556096
1024.4075547 1030.4343773 1032.7891691 1041.2435071 1042.2414752
1046.0932287 1048.9465600 1059.1068758 1061.5139626 1063.7621428
1072.0759427 1075.3827226 1082.8001940 1088.5364134 1093.7758466
1094.9472811 1097.9989480 1102.8226589 1107.6255283 1111.1749400
1116.6417566 1121.7285726 1124.7193112 1134.2467864 1137.0514759
1140.7846120
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1001
Rtb_to_modes> Number of blocs = 129
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: 9.9990E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.503
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.034
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.117
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.548
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.39
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 15.06
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 16.29
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 16.54
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 18.82
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 20.90
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 21.86
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 22.88
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 25.99
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 27.48
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 28.54
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 29.36
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 30.59
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 31.72
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 32.41
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 33.92
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 35.19
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 36.68
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 37.76
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 39.01
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 39.78
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 40.61
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 42.90
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 43.81
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 44.95
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 45.95
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 47.33
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 48.58
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 50.27
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 50.82
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 52.89
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 53.35
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 53.99
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 56.23
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 56.52
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 57.57
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 58.26
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 59.40
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 59.81
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 62.55
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 62.77
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 64.19
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 66.04
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 66.66
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 67.12
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 68.06
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 69.01
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 69.46
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 71.22
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 71.33
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 72.39
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 72.69
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 74.67
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 75.04
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 76.42
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 76.82
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 77.38
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 77.99
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 79.04
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 79.98
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 80.37
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 81.95
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 82.15
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 82.80
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 83.98
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 84.16
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 85.41
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 86.17
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 86.76
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 88.46
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 88.99
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 90.04
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 90.46
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 91.94
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 92.12
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 92.80
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 93.31
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 95.12
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 95.56
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 95.96
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 97.47
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 98.07
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 99.43
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 100.5
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 101.5
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 101.7
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 102.2
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 103.1
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 104.0
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 104.7
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 105.7
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 106.7
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 107.3
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 109.1
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 109.6
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 110.4
Rtb_to_modes> 106 vectors, with 774 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00001 1.00002 1.00000 0.99998
1.00000 1.00002 1.00003 1.00001 0.99999
1.00003 0.99999 1.00004 1.00002 0.99999
1.00002 1.00000 0.99998 0.99998 1.00003
1.00003 1.00000 1.00001 1.00001 0.99999
1.00001 1.00000 0.99999 1.00001 0.99999
0.99999 1.00002 1.00004 1.00002 1.00003
0.99997 1.00004 1.00000 1.00001 1.00001
0.99999 0.99999 0.99999 0.99999 1.00002
1.00002 1.00002 1.00002 0.99998 1.00001
0.99999 1.00002 1.00000 0.99999 0.99998
1.00000 1.00000 1.00001 1.00000 1.00002
0.99997 1.00001 1.00000 1.00002 1.00003
1.00001 0.99997 1.00000 1.00002 1.00001
0.99998 1.00001 0.99999 0.99995 1.00002
0.99998 0.99999 1.00004 1.00002 1.00003
1.00001 0.99998 1.00001 1.00000 1.00001
1.00002 1.00002 1.00000 1.00003 0.99998
1.00002 0.99999 1.00000 0.99996 1.00004
0.99999 1.00000 1.00002 1.00001 1.00002
0.99999 0.99998 1.00001 1.00003 0.99996
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 18018 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00001 1.00002 1.00000 0.99998
1.00000 1.00002 1.00003 1.00001 0.99999
1.00003 0.99999 1.00004 1.00002 0.99999
1.00002 1.00000 0.99998 0.99998 1.00003
1.00003 1.00000 1.00001 1.00001 0.99999
1.00001 1.00000 0.99999 1.00001 0.99999
0.99999 1.00002 1.00004 1.00002 1.00003
0.99997 1.00004 1.00000 1.00001 1.00001
0.99999 0.99999 0.99999 0.99999 1.00002
1.00002 1.00002 1.00002 0.99998 1.00001
0.99999 1.00002 1.00000 0.99999 0.99998
1.00000 1.00000 1.00001 1.00000 1.00002
0.99997 1.00001 1.00000 1.00002 1.00003
1.00001 0.99997 1.00000 1.00002 1.00001
0.99998 1.00001 0.99999 0.99995 1.00002
0.99998 0.99999 1.00004 1.00002 1.00003
1.00001 0.99998 1.00001 1.00000 1.00001
1.00002 1.00002 1.00000 1.00003 0.99998
1.00002 0.99999 1.00000 0.99996 1.00004
0.99999 1.00000 1.00002 1.00001 1.00002
0.99999 0.99998 1.00001 1.00003 0.99996
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> 2404221630241904959.eigenfacs
Openam> file on opening on unit 10:
2404221630241904959.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404221630241904959.atom
Openam> file on opening on unit 11:
2404221630241904959.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 = 129
First residue number = 1
Last residue number = 129
Number of atoms found = 1001
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9990E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
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: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.503
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.117
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 15.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 16.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 16.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 18.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 20.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 21.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 22.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 25.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 27.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 28.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 29.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 30.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 31.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 32.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 33.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 35.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 37.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 39.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 39.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 40.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 42.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 43.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 44.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 45.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 47.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 48.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 50.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 50.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 52.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 53.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 53.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 56.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 56.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 57.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 58.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 59.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 59.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 62.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 62.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 64.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 66.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 66.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 67.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 68.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 69.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 69.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 71.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 71.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 72.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 72.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 74.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 75.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 76.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 76.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 77.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 77.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 79.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 79.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 80.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 81.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 82.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 82.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 83.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 84.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 85.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 86.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 86.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 88.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 88.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 90.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 90.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 91.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 92.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 92.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 93.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 95.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 95.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 95.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 97.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 98.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 99.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 100.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 101.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 101.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 102.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 103.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 104.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 104.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 105.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 106.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 107.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 109.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 109.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 110.4
Bfactors> 106 vectors, 3003 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 3.503000
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> Experimental B-factors are nearly constant !
Bfactors> = 0.032 +/- 0.04
Bfactors> = 6.000 +/- 0.00
Bfactors> Shiftng-fct= 5.968
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404221630241904959 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=0
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=100
2404221630241904959.eigenfacs
2404221630241904959.atom
making animated gifs
11 models are in 2404221630241904959.7.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 2404221630241904959.7.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 2404221630241904959.7.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 2404221630241904959 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=0
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=100
2404221630241904959.eigenfacs
2404221630241904959.atom
making animated gifs
11 models are in 2404221630241904959.8.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 2404221630241904959.8.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 2404221630241904959.8.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 2404221630241904959 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=0
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=100
2404221630241904959.eigenfacs
2404221630241904959.atom
making animated gifs
11 models are in 2404221630241904959.9.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 2404221630241904959.9.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 2404221630241904959.9.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 2404221630241904959 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=0
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=100
2404221630241904959.eigenfacs
2404221630241904959.atom
making animated gifs
11 models are in 2404221630241904959.10.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 2404221630241904959.10.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 2404221630241904959.10.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 2404221630241904959 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=-20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=0
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=20
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=40
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=60
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=80
2404221630241904959.eigenfacs
2404221630241904959.atom
calculating perturbed structure for DQ=100
2404221630241904959.eigenfacs
2404221630241904959.atom
making animated gifs
11 models are in 2404221630241904959.11.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 2404221630241904959.11.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 2404221630241904959.11.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
2404221630241904959.10.pdb
2404221630241904959.11.pdb
2404221630241904959.7.pdb
2404221630241904959.8.pdb
2404221630241904959.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m6.845s
user 0m6.825s
sys 0m0.020s
../../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: 2404221630241904959.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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