*** bec_luci_A ***
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 = 2404021201272023130.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 2404021201272023130.atom to be opened.
Openam> File opened: 2404021201272023130.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 = 132
First residue number = 253
Last residue number = 384
Number of atoms found = 1092
Mean number per residue = 8.3
Pdbmat> Coordinate statistics:
= -3.088217 +/- 9.664826 From: -28.471000 To: 18.380000
= -0.147960 +/- 6.690661 From: -17.928000 To: 15.214000
= 21.280749 +/- 7.847150 From: 3.772000 To: 38.990000
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 7.6633 % Filled.
Pdbmat> 411345 non-zero elements.
Pdbmat> 44982 atom-atom interactions.
Pdbmat> Number per atom= 82.38 +/- 26.87
Maximum number = 140
Minimum number = 13
Pdbmat> Matrix trace = 899640.
Pdbmat> Larger element = 509.018
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
132 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 = 2404021201272023130.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 2404021201272023130.atom to be opened.
Openam> file on opening on unit 11:
2404021201272023130.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1092 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> 132 residues.
Blocpdb> 6 atoms in block 1
Block first atom: 1
Blocpdb> 10 atoms in block 2
Block first atom: 7
Blocpdb> 7 atoms in block 3
Block first atom: 17
Blocpdb> 6 atoms in block 4
Block first atom: 24
Blocpdb> 7 atoms in block 5
Block first atom: 30
Blocpdb> 14 atoms in block 6
Block first atom: 37
Blocpdb> 9 atoms in block 7
Block first atom: 51
Blocpdb> 14 atoms in block 8
Block first atom: 60
Blocpdb> 7 atoms in block 9
Block first atom: 74
Blocpdb> 11 atoms in block 10
Block first atom: 81
Blocpdb> 11 atoms in block 11
Block first atom: 92
Blocpdb> 9 atoms in block 12
Block first atom: 103
Blocpdb> 4 atoms in block 13
Block first atom: 112
Blocpdb> 8 atoms in block 14
Block first atom: 116
Blocpdb> 6 atoms in block 15
Block first atom: 124
Blocpdb> 12 atoms in block 16
Block first atom: 130
Blocpdb> 11 atoms in block 17
Block first atom: 142
Blocpdb> 8 atoms in block 18
Block first atom: 153
Blocpdb> 6 atoms in block 19
Block first atom: 161
Blocpdb> 13 atoms in block 20
Block first atom: 167
Blocpdb> 6 atoms in block 21
Block first atom: 180
Blocpdb> 9 atoms in block 22
Block first atom: 186
Blocpdb> 11 atoms in block 23
Block first atom: 195
Blocpdb> 8 atoms in block 24
Block first atom: 206
Blocpdb> 14 atoms in block 25
Block first atom: 214
Blocpdb> 10 atoms in block 26
Block first atom: 228
Blocpdb> 8 atoms in block 27
Block first atom: 238
Blocpdb> 6 atoms in block 28
Block first atom: 246
Blocpdb> 8 atoms in block 29
Block first atom: 252
Blocpdb> 7 atoms in block 30
Block first atom: 260
Blocpdb> 5 atoms in block 31
Block first atom: 267
Blocpdb> 6 atoms in block 32
Block first atom: 272
Blocpdb> 9 atoms in block 33
Block first atom: 278
Blocpdb> 9 atoms in block 34
Block first atom: 287
Blocpdb> 7 atoms in block 35
Block first atom: 296
Blocpdb> 4 atoms in block 36
Block first atom: 303
Blocpdb> 5 atoms in block 37
Block first atom: 307
Blocpdb> 15 atoms in block 38
Block first atom: 312
Blocpdb> 8 atoms in block 39
Block first atom: 327
Blocpdb> 7 atoms in block 40
Block first atom: 335
Blocpdb> 7 atoms in block 41
Block first atom: 342
Blocpdb> 8 atoms in block 42
Block first atom: 349
Blocpdb> 9 atoms in block 43
Block first atom: 357
Blocpdb> 6 atoms in block 44
Block first atom: 366
Blocpdb> 5 atoms in block 45
Block first atom: 372
Blocpdb> 15 atoms in block 46
Block first atom: 377
Blocpdb> 9 atoms in block 47
Block first atom: 392
Blocpdb> 9 atoms in block 48
Block first atom: 401
Blocpdb> 8 atoms in block 49
Block first atom: 410
Blocpdb> 11 atoms in block 50
Block first atom: 418
Blocpdb> 8 atoms in block 51
Block first atom: 429
Blocpdb> 9 atoms in block 52
Block first atom: 437
Blocpdb> 8 atoms in block 53
Block first atom: 446
Blocpdb> 9 atoms in block 54
Block first atom: 454
Blocpdb> 6 atoms in block 55
Block first atom: 463
Blocpdb> 6 atoms in block 56
Block first atom: 469
Blocpdb> 11 atoms in block 57
Block first atom: 475
Blocpdb> 6 atoms in block 58
Block first atom: 486
Blocpdb> 8 atoms in block 59
Block first atom: 492
Blocpdb> 11 atoms in block 60
Block first atom: 500
Blocpdb> 11 atoms in block 61
Block first atom: 511
Blocpdb> 7 atoms in block 62
Block first atom: 522
Blocpdb> 14 atoms in block 63
Block first atom: 529
Blocpdb> 8 atoms in block 64
Block first atom: 543
Blocpdb> 4 atoms in block 65
Block first atom: 551
Blocpdb> 8 atoms in block 66
Block first atom: 555
Blocpdb> 6 atoms in block 67
Block first atom: 563
Blocpdb> 8 atoms in block 68
Block first atom: 569
Blocpdb> 8 atoms in block 69
Block first atom: 577
Blocpdb> 13 atoms in block 70
Block first atom: 585
Blocpdb> 9 atoms in block 71
Block first atom: 598
Blocpdb> 9 atoms in block 72
Block first atom: 607
Blocpdb> 4 atoms in block 73
Block first atom: 616
Blocpdb> 7 atoms in block 74
Block first atom: 620
Blocpdb> 14 atoms in block 75
Block first atom: 627
Blocpdb> 9 atoms in block 76
Block first atom: 641
Blocpdb> 14 atoms in block 77
Block first atom: 650
Blocpdb> 7 atoms in block 78
Block first atom: 664
Blocpdb> 8 atoms in block 79
Block first atom: 671
Blocpdb> 4 atoms in block 80
Block first atom: 679
Blocpdb> 6 atoms in block 81
Block first atom: 683
Blocpdb> 7 atoms in block 82
Block first atom: 689
Blocpdb> 8 atoms in block 83
Block first atom: 696
Blocpdb> 8 atoms in block 84
Block first atom: 704
Blocpdb> 7 atoms in block 85
Block first atom: 712
Blocpdb> 6 atoms in block 86
Block first atom: 719
Blocpdb> 11 atoms in block 87
Block first atom: 725
Blocpdb> 9 atoms in block 88
Block first atom: 736
Blocpdb> 9 atoms in block 89
Block first atom: 745
Blocpdb> 12 atoms in block 90
Block first atom: 754
Blocpdb> 14 atoms in block 91
Block first atom: 766
Blocpdb> 8 atoms in block 92
Block first atom: 780
Blocpdb> 11 atoms in block 93
Block first atom: 788
Blocpdb> 4 atoms in block 94
Block first atom: 799
Blocpdb> 9 atoms in block 95
Block first atom: 803
Blocpdb> 7 atoms in block 96
Block first atom: 812
Blocpdb> 8 atoms in block 97
Block first atom: 819
Blocpdb> 8 atoms in block 98
Block first atom: 827
Blocpdb> 7 atoms in block 99
Block first atom: 835
Blocpdb> 4 atoms in block 100
Block first atom: 842
Blocpdb> 9 atoms in block 101
Block first atom: 846
Blocpdb> 9 atoms in block 102
Block first atom: 855
Blocpdb> 8 atoms in block 103
Block first atom: 864
Blocpdb> 6 atoms in block 104
Block first atom: 872
Blocpdb> 5 atoms in block 105
Block first atom: 878
Blocpdb> 9 atoms in block 106
Block first atom: 883
Blocpdb> 11 atoms in block 107
Block first atom: 892
Blocpdb> 6 atoms in block 108
Block first atom: 903
Blocpdb> 4 atoms in block 109
Block first atom: 909
Blocpdb> 8 atoms in block 110
Block first atom: 913
Blocpdb> 4 atoms in block 111
Block first atom: 921
Blocpdb> 14 atoms in block 112
Block first atom: 925
Blocpdb> 8 atoms in block 113
Block first atom: 939
Blocpdb> 8 atoms in block 114
Block first atom: 947
Blocpdb> 8 atoms in block 115
Block first atom: 955
Blocpdb> 9 atoms in block 116
Block first atom: 963
Blocpdb> 6 atoms in block 117
Block first atom: 972
Blocpdb> 8 atoms in block 118
Block first atom: 978
Blocpdb> 8 atoms in block 119
Block first atom: 986
Blocpdb> 5 atoms in block 120
Block first atom: 994
Blocpdb> 9 atoms in block 121
Block first atom: 999
Blocpdb> 11 atoms in block 122
Block first atom: 1008
Blocpdb> 14 atoms in block 123
Block first atom: 1019
Blocpdb> 8 atoms in block 124
Block first atom: 1033
Blocpdb> 6 atoms in block 125
Block first atom: 1041
Blocpdb> 9 atoms in block 126
Block first atom: 1047
Blocpdb> 9 atoms in block 127
Block first atom: 1056
Blocpdb> 6 atoms in block 128
Block first atom: 1065
Blocpdb> 5 atoms in block 129
Block first atom: 1071
Blocpdb> 5 atoms in block 130
Block first atom: 1076
Blocpdb> 6 atoms in block 131
Block first atom: 1081
Blocpdb> 6 atoms in block 132
Block first atom: 1086
Blocpdb> 132 blocks.
Blocpdb> At most, 15 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> 411477 matrix lines read.
Prepmat> Matrix order = 3276
Prepmat> Matrix trace = 899640.0000
Prepmat> Last element read: 3276 3276 111.5557
Prepmat> 8779 lines saved.
Prepmat> 7152 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: 1092
RTB> Total mass = 1092.0000
RTB> Number of atoms found in matrix: 1092
RTB> Number of blocks = 132
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 197439.6375
RTB> 56556 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 = 792
Diagstd> Nb of non-zero elements: 56556
Diagstd> Projected matrix trace = 197439.6375
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 792 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 197439.6375
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 2.9764106 3.6264035 4.0681067 4.3050619
6.1880720 9.3646052 10.1949885 11.4975680 12.2060252
14.3493156 15.9452060 17.5175285 19.3840678 19.8223363
20.4536227 23.0221200 24.0070423 25.5624780 25.9827534
27.3345569 27.7407837 29.0265928 29.8175089 30.4955833
31.4554191 32.0960100 33.1801694 34.0250792 34.7598349
36.6790945 37.0098793 37.9852557 38.6986023 39.9499573
41.8134181 42.1876369 43.3897037 43.9339827 45.2484745
45.8366184 46.2678841 48.8983115 50.4799024 50.8300173
51.6387823 53.5582227 54.1683352 55.4647935 56.3689863
57.1687025 57.7499794 58.7296768 59.1520175 60.6136997
62.4315865 62.7505126 63.3455622 64.9468963 65.5793251
66.8130764 67.9488903 68.9684871 69.4493942 69.9047242
70.8449223 71.5445516 72.8750449 74.1351312 75.5466876
75.9226886 76.3317861 76.9688790 78.0871413 79.0314538
79.8993139 81.0126835 82.1531059 82.6057577 83.2982668
83.9159578 85.1103192 85.5919539 86.5434137 87.3033575
88.1424447 88.9848044 89.0071125 90.1656357 91.1199057
92.0627492 92.8079239 95.0708888 95.5831303 96.5922231
97.6011106 98.0859181 98.5347000 99.2715026 99.8236499
100.8093508
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034319 0.0034326 0.0034335 0.0034337 0.0034342
0.0034345 187.3448242 206.7918141 219.0238702 225.3123412
270.1300875 332.3074036 346.7277892 368.2122841 379.3869696
411.3494062 433.6210401 454.4977066 478.0988959 483.4735284
491.1118354 521.0362471 532.0648995 549.0308606 553.5257974
567.7423608 571.9454950 585.0504402 592.9675930 599.6719748
609.0360753 615.2063419 625.5104644 633.4244936 640.2272168
657.6647778 660.6236460 669.2722331 675.5273240 686.3623298
702.1875352 705.3227306 715.3006544 719.7730267 730.4613660
735.1933416 738.6438727 759.3503746 771.5330478 774.2039966
780.3389351 794.7094160 799.2230934 808.7307946 815.2961521
821.0591554 825.2227593 832.1930521 835.1799528 845.4358833
858.0201079 860.2088757 864.2778396 875.1338473 879.3843888
887.6178245 895.1307253 901.8215931 904.9602660 907.9220083
914.0072578 918.5093115 927.0105951 934.9907420 943.8500297
946.1959176 948.7417067 952.6927516 959.5885170 965.3732615
970.6592674 977.3987726 984.2541938 986.9620185 991.0903849
994.7582694 1001.8123698 1004.6429725 1010.2114608 1014.6371355
1019.5013994 1024.3614006 1024.4897944 1031.1356558 1036.5778179
1041.9268987 1046.1351851 1058.8124937 1061.6611006 1067.2504856
1072.8096218 1075.4707691 1077.9283138 1081.9509636 1084.9556924
1090.2991896
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1092
Rtb_to_modes> Number of blocs = 132
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: 9.9882E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9918E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9983E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.976
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 3.626
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.068
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.305
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.188
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 9.365
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 10.19
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 11.50
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 12.21
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 14.35
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 15.95
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 17.52
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 19.38
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 19.82
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 20.45
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 23.02
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 24.01
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 25.56
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 25.98
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 27.33
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 27.74
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 29.03
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 29.82
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 30.50
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 31.46
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 32.10
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 33.18
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 34.03
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 34.76
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 36.68
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 37.01
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 37.99
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 38.70
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 39.95
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 41.81
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 42.19
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 43.39
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 43.93
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 45.25
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 45.84
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 46.27
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 48.90
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 50.48
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 50.83
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 51.64
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 53.56
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 54.17
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 55.46
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 56.37
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 57.17
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 57.75
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 58.73
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 59.15
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 60.61
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 62.43
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 62.75
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 63.35
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 64.95
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 65.58
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 66.81
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 67.95
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 68.97
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 69.45
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 69.90
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 70.84
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 71.54
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 72.88
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 74.14
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 75.55
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 75.92
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 76.33
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 76.97
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 78.09
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 79.03
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 79.90
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 81.01
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 82.15
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 82.61
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 83.30
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 83.92
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 85.11
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 85.59
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 86.54
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 87.30
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 88.14
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 88.98
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 89.01
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 90.17
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 91.12
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 92.06
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 92.81
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 95.07
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 95.58
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 96.59
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 97.60
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 98.09
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 98.53
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 99.27
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 99.82
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 100.8
Rtb_to_modes> 106 vectors, with 792 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 1.00001 1.00000 1.00000
0.99999 0.99999 0.99999 0.99998 1.00002
0.99995 0.99999 1.00000 0.99999 0.99999
0.99997 0.99997 1.00000 1.00000 1.00003
0.99999 1.00002 0.99998 1.00001 1.00002
1.00000 1.00001 0.99997 1.00000 1.00001
0.99998 0.99998 0.99999 1.00003 1.00005
1.00003 1.00000 1.00002 1.00000 1.00000
1.00001 1.00001 0.99999 0.99998 0.99999
1.00001 1.00000 1.00001 0.99998 1.00002
1.00000 0.99996 0.99997 1.00003 1.00001
0.99999 1.00003 1.00000 1.00002 0.99998
1.00002 1.00000 1.00000 1.00001 0.99999
1.00003 0.99998 1.00001 0.99998 0.99999
1.00003 1.00000 0.99998 0.99998 1.00000
1.00007 1.00003 1.00001 1.00001 1.00001
1.00002 1.00000 1.00002 1.00000 0.99998
0.99999 1.00000 1.00001 0.99998 0.99999
1.00003 1.00001 0.99997 0.99999 1.00003
1.00001 0.99999 0.99999 1.00001 1.00004
0.99998 1.00000 1.00003 1.00003 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 19656 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 1.00001 1.00000 1.00000
0.99999 0.99999 0.99999 0.99998 1.00002
0.99995 0.99999 1.00000 0.99999 0.99999
0.99997 0.99997 1.00000 1.00000 1.00003
0.99999 1.00002 0.99998 1.00001 1.00002
1.00000 1.00001 0.99997 1.00000 1.00001
0.99998 0.99998 0.99999 1.00003 1.00005
1.00003 1.00000 1.00002 1.00000 1.00000
1.00001 1.00001 0.99999 0.99998 0.99999
1.00001 1.00000 1.00001 0.99998 1.00002
1.00000 0.99996 0.99997 1.00003 1.00001
0.99999 1.00003 1.00000 1.00002 0.99998
1.00002 1.00000 1.00000 1.00001 0.99999
1.00003 0.99998 1.00001 0.99998 0.99999
1.00003 1.00000 0.99998 0.99998 1.00000
1.00007 1.00003 1.00001 1.00001 1.00001
1.00002 1.00000 1.00002 1.00000 0.99998
0.99999 1.00000 1.00001 0.99998 0.99999
1.00003 1.00001 0.99997 0.99999 1.00003
1.00001 0.99999 0.99999 1.00001 1.00004
0.99998 1.00000 1.00003 1.00003 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> 2404021201272023130.eigenfacs
Openam> file on opening on unit 10:
2404021201272023130.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404021201272023130.atom
Openam> file on opening on unit 11:
2404021201272023130.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 = 132
First residue number = 253
Last residue number = 384
Number of atoms found = 1092
Mean number per residue = 8.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9882E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9918E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9983E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.976
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 3.626
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.068
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.188
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.365
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 11.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 12.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 14.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 15.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 17.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 19.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 19.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 20.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 23.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 24.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 25.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 25.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 27.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 27.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 29.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 29.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 30.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 31.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 32.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 33.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 34.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 34.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 36.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 37.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 37.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 38.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 39.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 41.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 42.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 43.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 43.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 45.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 45.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 46.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 48.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 50.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 50.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 51.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 53.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 54.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 55.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 56.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 57.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 57.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 58.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 59.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 60.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 62.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 62.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 63.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 64.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 65.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 66.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 67.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 68.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 69.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 69.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 70.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 71.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 72.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 74.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 75.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 75.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 76.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 76.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 78.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 79.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 79.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 81.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 82.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 82.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 83.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 83.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 85.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 85.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 86.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 87.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 88.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 88.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 89.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 90.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 91.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 92.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 92.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 95.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 95.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 96.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 97.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 98.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 98.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 99.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 99.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 100.8
Bfactors> 106 vectors, 3276 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 : 2.976000
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= 0.881 for 136 C-alpha atoms.
Bfactors> = 0.038 +/- 0.07
Bfactors> = 33.816 +/- 9.66
Bfactors> Shiftng-fct= 33.778
Bfactors> Scaling-fct= 130.154
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404021201272023130 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=0
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=100
2404021201272023130.eigenfacs
2404021201272023130.atom
making animated gifs
11 models are in 2404021201272023130.7.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 2404021201272023130.7.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 2404021201272023130.7.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 2404021201272023130 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=0
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=100
2404021201272023130.eigenfacs
2404021201272023130.atom
making animated gifs
11 models are in 2404021201272023130.8.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 2404021201272023130.8.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 2404021201272023130.8.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 2404021201272023130 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=0
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=100
2404021201272023130.eigenfacs
2404021201272023130.atom
making animated gifs
11 models are in 2404021201272023130.9.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 2404021201272023130.9.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 2404021201272023130.9.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 2404021201272023130 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=0
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=100
2404021201272023130.eigenfacs
2404021201272023130.atom
making animated gifs
11 models are in 2404021201272023130.10.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 2404021201272023130.10.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 2404021201272023130.10.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 2404021201272023130 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=-20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=0
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=20
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=40
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=60
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=80
2404021201272023130.eigenfacs
2404021201272023130.atom
calculating perturbed structure for DQ=100
2404021201272023130.eigenfacs
2404021201272023130.atom
making animated gifs
11 models are in 2404021201272023130.11.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 2404021201272023130.11.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 2404021201272023130.11.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
2404021201272023130.10.pdb
2404021201272023130.11.pdb
2404021201272023130.7.pdb
2404021201272023130.8.pdb
2404021201272023130.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.355s
user 0m7.327s
sys 0m0.028s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2404021201272023130.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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