*** po ***
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 = 2404061943082708176.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 2404061943082708176.atom to be opened.
Openam> File opened: 2404061943082708176.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 = 247
First residue number = 306
Last residue number = 552
Number of atoms found = 1962
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 22.505587 +/- 9.702918 From: -1.351000 To: 45.611000
= 5.499467 +/- 10.529748 From: -22.564000 To: 32.099000
= 21.957758 +/- 11.865804 From: -7.482000 To: 47.742000
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 3.9959 % Filled.
Pdbmat> 692306 non-zero elements.
Pdbmat> 75626 atom-atom interactions.
Pdbmat> Number per atom= 77.09 +/- 22.39
Maximum number = 133
Minimum number = 15
Pdbmat> Matrix trace = 1.512520E+06
Pdbmat> Larger element = 529.294
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
247 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404061943082708176.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404061943082708176.atom to be opened.
Openam> file on opening on unit 11:
2404061943082708176.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1962 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 247 residues.
Blocpdb> 10 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 11
Blocpdb> 15 atoms in block 3
Block first atom: 25
Blocpdb> 13 atoms in block 4
Block first atom: 40
Blocpdb> 17 atoms in block 5
Block first atom: 53
Blocpdb> 13 atoms in block 6
Block first atom: 70
Blocpdb> 13 atoms in block 7
Block first atom: 83
Blocpdb> 16 atoms in block 8
Block first atom: 96
Blocpdb> 14 atoms in block 9
Block first atom: 112
Blocpdb> 14 atoms in block 10
Block first atom: 126
Blocpdb> 16 atoms in block 11
Block first atom: 140
Blocpdb> 18 atoms in block 12
Block first atom: 156
Blocpdb> 21 atoms in block 13
Block first atom: 174
Blocpdb> 15 atoms in block 14
Block first atom: 195
Blocpdb> 12 atoms in block 15
Block first atom: 210
Blocpdb> 18 atoms in block 16
Block first atom: 222
Blocpdb> 15 atoms in block 17
Block first atom: 240
Blocpdb> 11 atoms in block 18
Block first atom: 255
Blocpdb> 16 atoms in block 19
Block first atom: 266
Blocpdb> 12 atoms in block 20
Block first atom: 282
Blocpdb> 15 atoms in block 21
Block first atom: 294
Blocpdb> 16 atoms in block 22
Block first atom: 309
Blocpdb> 13 atoms in block 23
Block first atom: 325
Blocpdb> 20 atoms in block 24
Block first atom: 338
Blocpdb> 15 atoms in block 25
Block first atom: 358
Blocpdb> 18 atoms in block 26
Block first atom: 373
Blocpdb> 16 atoms in block 27
Block first atom: 391
Blocpdb> 19 atoms in block 28
Block first atom: 407
Blocpdb> 20 atoms in block 29
Block first atom: 426
Blocpdb> 14 atoms in block 30
Block first atom: 446
Blocpdb> 15 atoms in block 31
Block first atom: 460
Blocpdb> 15 atoms in block 32
Block first atom: 475
Blocpdb> 15 atoms in block 33
Block first atom: 490
Blocpdb> 18 atoms in block 34
Block first atom: 505
Blocpdb> 17 atoms in block 35
Block first atom: 523
Blocpdb> 17 atoms in block 36
Block first atom: 540
Blocpdb> 16 atoms in block 37
Block first atom: 557
Blocpdb> 21 atoms in block 38
Block first atom: 573
Blocpdb> 19 atoms in block 39
Block first atom: 594
Blocpdb> 17 atoms in block 40
Block first atom: 613
Blocpdb> 16 atoms in block 41
Block first atom: 630
Blocpdb> 16 atoms in block 42
Block first atom: 646
Blocpdb> 12 atoms in block 43
Block first atom: 662
Blocpdb> 21 atoms in block 44
Block first atom: 674
Blocpdb> 17 atoms in block 45
Block first atom: 695
Blocpdb> 17 atoms in block 46
Block first atom: 712
Blocpdb> 17 atoms in block 47
Block first atom: 729
Blocpdb> 13 atoms in block 48
Block first atom: 746
Blocpdb> 16 atoms in block 49
Block first atom: 759
Blocpdb> 16 atoms in block 50
Block first atom: 775
Blocpdb> 15 atoms in block 51
Block first atom: 791
Blocpdb> 16 atoms in block 52
Block first atom: 806
Blocpdb> 16 atoms in block 53
Block first atom: 822
Blocpdb> 19 atoms in block 54
Block first atom: 838
Blocpdb> 13 atoms in block 55
Block first atom: 857
Blocpdb> 15 atoms in block 56
Block first atom: 870
Blocpdb> 16 atoms in block 57
Block first atom: 885
Blocpdb> 12 atoms in block 58
Block first atom: 901
Blocpdb> 16 atoms in block 59
Block first atom: 913
Blocpdb> 19 atoms in block 60
Block first atom: 929
Blocpdb> 16 atoms in block 61
Block first atom: 948
Blocpdb> 16 atoms in block 62
Block first atom: 964
Blocpdb> 12 atoms in block 63
Block first atom: 980
Blocpdb> 18 atoms in block 64
Block first atom: 992
Blocpdb> 22 atoms in block 65
Block first atom: 1010
Blocpdb> 16 atoms in block 66
Block first atom: 1032
Blocpdb> 16 atoms in block 67
Block first atom: 1048
Blocpdb> 17 atoms in block 68
Block first atom: 1064
Blocpdb> 13 atoms in block 69
Block first atom: 1081
Blocpdb> 20 atoms in block 70
Block first atom: 1094
Blocpdb> 13 atoms in block 71
Block first atom: 1114
Blocpdb> 17 atoms in block 72
Block first atom: 1127
Blocpdb> 14 atoms in block 73
Block first atom: 1144
Blocpdb> 16 atoms in block 74
Block first atom: 1158
Blocpdb> 16 atoms in block 75
Block first atom: 1174
Blocpdb> 10 atoms in block 76
Block first atom: 1190
Blocpdb> 19 atoms in block 77
Block first atom: 1200
Blocpdb> 18 atoms in block 78
Block first atom: 1219
Blocpdb> 10 atoms in block 79
Block first atom: 1237
Blocpdb> 12 atoms in block 80
Block first atom: 1247
Blocpdb> 17 atoms in block 81
Block first atom: 1259
Blocpdb> 14 atoms in block 82
Block first atom: 1276
Blocpdb> 18 atoms in block 83
Block first atom: 1290
Blocpdb> 17 atoms in block 84
Block first atom: 1308
Blocpdb> 18 atoms in block 85
Block first atom: 1325
Blocpdb> 21 atoms in block 86
Block first atom: 1343
Blocpdb> 15 atoms in block 87
Block first atom: 1364
Blocpdb> 13 atoms in block 88
Block first atom: 1379
Blocpdb> 15 atoms in block 89
Block first atom: 1392
Blocpdb> 15 atoms in block 90
Block first atom: 1407
Blocpdb> 16 atoms in block 91
Block first atom: 1422
Blocpdb> 18 atoms in block 92
Block first atom: 1438
Blocpdb> 13 atoms in block 93
Block first atom: 1456
Blocpdb> 14 atoms in block 94
Block first atom: 1469
Blocpdb> 12 atoms in block 95
Block first atom: 1483
Blocpdb> 15 atoms in block 96
Block first atom: 1495
Blocpdb> 18 atoms in block 97
Block first atom: 1510
Blocpdb> 19 atoms in block 98
Block first atom: 1528
Blocpdb> 20 atoms in block 99
Block first atom: 1547
Blocpdb> 13 atoms in block 100
Block first atom: 1567
Blocpdb> 17 atoms in block 101
Block first atom: 1580
Blocpdb> 16 atoms in block 102
Block first atom: 1597
Blocpdb> 16 atoms in block 103
Block first atom: 1613
Blocpdb> 26 atoms in block 104
Block first atom: 1629
Blocpdb> 19 atoms in block 105
Block first atom: 1655
Blocpdb> 18 atoms in block 106
Block first atom: 1674
Blocpdb> 14 atoms in block 107
Block first atom: 1692
Blocpdb> 13 atoms in block 108
Block first atom: 1706
Blocpdb> 25 atoms in block 109
Block first atom: 1719
Blocpdb> 18 atoms in block 110
Block first atom: 1744
Blocpdb> 18 atoms in block 111
Block first atom: 1762
Blocpdb> 13 atoms in block 112
Block first atom: 1780
Blocpdb> 11 atoms in block 113
Block first atom: 1793
Blocpdb> 12 atoms in block 114
Block first atom: 1804
Blocpdb> 12 atoms in block 115
Block first atom: 1816
Blocpdb> 20 atoms in block 116
Block first atom: 1828
Blocpdb> 16 atoms in block 117
Block first atom: 1848
Blocpdb> 16 atoms in block 118
Block first atom: 1864
Blocpdb> 17 atoms in block 119
Block first atom: 1880
Blocpdb> 16 atoms in block 120
Block first atom: 1897
Blocpdb> 15 atoms in block 121
Block first atom: 1913
Blocpdb> 19 atoms in block 122
Block first atom: 1928
Blocpdb> 16 atoms in block 123
Block first atom: 1946
Blocpdb> 123 blocks.
Blocpdb> At most, 26 atoms in each of them.
Blocpdb> At least, 10 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> 692429 matrix lines read.
Prepmat> Matrix order = 5886
Prepmat> Matrix trace = 1512520.0000
Prepmat> Last element read: 5886 5886 34.6774
Prepmat> 7627 lines saved.
Prepmat> 6384 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: 1962
RTB> Total mass = 1962.0000
RTB> Number of atoms found in matrix: 1962
RTB> Number of blocks = 123
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 156250.6961
RTB> 42867 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 = 738
Diagstd> Nb of non-zero elements: 42867
Diagstd> Projected matrix trace = 156250.6961
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 738 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 156250.6961
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.4304947 0.4612567 1.8164236 2.1776508
2.6749208 3.5551063 4.2587345 4.7263357 4.9612007
6.6132990 7.1941556 7.7828201 8.3894225 8.8915339
9.5511187 10.1365286 10.5448130 11.3768521 12.0980512
12.3543431 13.9582641 14.2599988 15.1575117 16.0089218
17.2374605 18.7830793 19.1435038 20.3099978 20.8725836
21.7432160 22.8768174 22.9019599 24.8814607 25.1307135
26.2344086 26.5942489 26.7563660 28.5628982 28.9788341
29.6631104 30.5993504 31.1082769 32.0911436 32.8364519
32.9189915 33.8977248 35.0073779 35.7237836 36.0438415
36.9731286 38.0121567 38.2773334 38.7600272 39.3297709
40.3054674 41.6229864 42.1412009 42.7137045 43.5444201
44.0067860 45.0149622 46.3881815 47.0633468 47.3441738
49.5406312 49.9311018 50.1632274 51.7887728 52.1623420
52.4938859 53.4530413 53.8400089 54.2719491 55.0272236
55.7035452 56.8571336 58.2682175 58.4990193 59.2809571
59.7501773 60.5674124 61.6621166 63.1884702 63.3400579
64.1506297 64.4329403 65.2350461 65.7453275 66.7245615
67.7954259 68.2633457 69.0445187 69.5054242 70.2987598
70.8935504 71.1633947 71.4794870 72.2917641 73.0689149
73.5972132
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034318 0.0034327 0.0034327 0.0034328 0.0034330
0.0034335 71.2490656 73.7507789 146.3537460 160.2468117
177.6031839 204.7489000 224.0967519 236.0791112 241.8737158
279.2571865 291.2629163 302.9449903 314.5294487 323.8050552
335.6003475 345.7322598 352.6263172 366.2742062 377.7052228
381.6850153 405.7055851 410.0671919 422.7749397 434.4865354
450.8498430 470.6289907 475.1229341 489.3845092 496.1161728
506.3574102 519.3894010 519.6747371 541.6680459 544.3743954
556.1999168 560.0014416 561.7057173 580.3585894 584.5689383
591.4303734 600.6913578 605.6660892 615.1597010 622.2621600
623.0437458 632.2379413 642.5028699 649.0437991 651.9447850
660.2955661 669.5091796 671.8404027 676.0632316 681.0139194
689.4094964 700.5867172 704.9344484 709.7066909 716.5748082
720.3691504 728.5740947 739.6034941 744.9663983 747.1856999
764.3214502 767.3276624 769.1092164 781.4714033 784.2848416
786.7733516 793.9286794 796.7972783 799.9871103 805.5343801
810.4695424 818.8187159 828.9171912 830.5572489 836.0897200
839.3921038 845.1130153 852.7161618 863.2055042 864.2402892
869.7526130 871.6642919 877.0730510 880.4966884 887.0296654
894.1193152 897.1995877 902.3185454 905.3252419 910.4772778
914.3208926 916.0593437 918.0915574 923.2933161 928.2428428
931.5924605
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1962
Rtb_to_modes> Number of blocs = 123
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: 9.9877E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9925E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9926E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9934E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9942E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.4305
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.4613
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.816
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.178
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.675
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.555
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.259
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.726
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.961
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 6.613
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 7.194
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 7.783
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.389
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 8.892
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.551
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 10.14
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.54
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.38
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.10
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 12.35
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 13.96
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.26
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 15.16
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 16.01
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 17.24
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 18.78
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 19.14
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 20.31
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 20.87
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 21.74
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 22.88
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 22.90
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 24.88
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 25.13
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 26.23
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 26.59
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 26.76
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 28.56
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 28.98
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 29.66
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 30.60
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 31.11
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 32.09
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 32.84
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 32.92
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 33.90
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 35.01
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 35.72
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 36.04
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 36.97
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 38.01
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 38.28
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 38.76
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 39.33
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 40.31
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 41.62
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 42.14
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 42.71
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 43.54
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 44.01
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 45.01
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 46.39
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 47.06
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 47.34
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 49.54
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 49.93
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 50.16
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 51.79
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 52.16
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 52.49
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 53.45
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 53.84
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 54.27
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 55.03
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 55.70
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 56.86
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 58.27
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 58.50
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 59.28
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 59.75
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 60.57
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 61.66
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 63.19
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 63.34
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 64.15
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 64.43
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 65.24
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 65.75
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 66.72
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 67.80
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 68.26
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 69.04
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 69.51
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 70.30
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 70.89
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 71.16
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 71.48
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 72.29
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 73.07
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 73.60
Rtb_to_modes> 106 vectors, with 738 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00003 1.00004 1.00003 1.00001
1.00000 0.99992 1.00002 1.00001 0.99998
1.00001 1.00001 0.99995 1.00000 0.99999
0.99994 1.00001 0.99996 1.00003 0.99999
0.99998 0.99996 0.99997 1.00001 1.00000
1.00000 0.99999 1.00002 1.00000 1.00001
1.00001 0.99997 1.00003 0.99999 1.00002
1.00002 1.00001 1.00001 0.99998 0.99999
1.00001 1.00002 0.99999 0.99999 1.00000
0.99996 1.00001 1.00001 0.99998 1.00002
0.99997 0.99999 0.99999 1.00001 0.99997
1.00004 1.00000 1.00001 1.00002 1.00001
0.99998 1.00001 1.00000 1.00001 1.00000
1.00000 1.00000 1.00001 0.99998 1.00001
0.99999 0.99998 0.99998 1.00000 1.00001
1.00000 1.00000 1.00001 0.99998 1.00001
0.99998 1.00003 1.00001 1.00001 0.99998
0.99999 0.99999 0.99999 1.00001 1.00001
0.99999 0.99999 1.00001 0.99999 0.99999
0.99998 0.99999 1.00000 0.99998 1.00001
1.00001 1.00000 1.00000 1.00000 1.00003
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 35316 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00003 1.00004 1.00003 1.00001
1.00000 0.99992 1.00002 1.00001 0.99998
1.00001 1.00001 0.99995 1.00000 0.99999
0.99994 1.00001 0.99996 1.00003 0.99999
0.99998 0.99996 0.99997 1.00001 1.00000
1.00000 0.99999 1.00002 1.00000 1.00001
1.00001 0.99997 1.00003 0.99999 1.00002
1.00002 1.00001 1.00001 0.99998 0.99999
1.00001 1.00002 0.99999 0.99999 1.00000
0.99996 1.00001 1.00001 0.99998 1.00002
0.99997 0.99999 0.99999 1.00001 0.99997
1.00004 1.00000 1.00001 1.00002 1.00001
0.99998 1.00001 1.00000 1.00001 1.00000
1.00000 1.00000 1.00001 0.99998 1.00001
0.99999 0.99998 0.99998 1.00000 1.00001
1.00000 1.00000 1.00001 0.99998 1.00001
0.99998 1.00003 1.00001 1.00001 0.99998
0.99999 0.99999 0.99999 1.00001 1.00001
0.99999 0.99999 1.00001 0.99999 0.99999
0.99998 0.99999 1.00000 0.99998 1.00001
1.00001 1.00000 1.00000 1.00000 1.00003
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4: 0.000-0.000 0.000
Vector 5: 0.000 0.000 0.000-0.000
Vector 6:-0.000-0.000-0.000 0.000 0.000
Vector 7: 0.000 0.000 0.000 0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000 0.000 0.000-0.000
Vector 9:-0.000-0.000 0.000 0.000 0.000-0.000 0.000 0.000
Vector 10: 0.000 0.000 0.000-0.000-0.000-0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404061943082708176.eigenfacs
Openam> file on opening on unit 10:
2404061943082708176.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404061943082708176.atom
Openam> file on opening on unit 11:
2404061943082708176.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 = 247
First residue number = 306
Last residue number = 552
Number of atoms found = 1962
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9877E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9926E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9942E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.816
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.178
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.555
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.259
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.726
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 6.613
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 7.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 7.783
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.389
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 8.892
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.551
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 12.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 13.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 15.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 16.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 17.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 18.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 19.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 20.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 20.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 21.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 22.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 22.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 24.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 25.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 26.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 26.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 26.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 28.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 28.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 29.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 30.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 31.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 32.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 32.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 32.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 33.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 35.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 35.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 36.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 36.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 38.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 38.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 38.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 39.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 40.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 41.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 42.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 42.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 43.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 44.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 45.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 46.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 47.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 47.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 49.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 49.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 50.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 51.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 52.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 52.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 53.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 53.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 54.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 55.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 55.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 56.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 58.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 58.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 59.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 59.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 60.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 61.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 63.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 63.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 64.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 64.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 65.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 65.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 66.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 67.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 68.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 69.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 69.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 70.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 70.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 71.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 71.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 72.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 73.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 73.60
Bfactors> 106 vectors, 5886 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.430500
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= 0.409 for 250 C-alpha atoms.
Bfactors> = 0.074 +/- 0.29
Bfactors> = 39.306 +/- 13.61
Bfactors> Shiftng-fct= 39.232
Bfactors> Scaling-fct= 47.286
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404061943082708176 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=0
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=100
2404061943082708176.eigenfacs
2404061943082708176.atom
making animated gifs
11 models are in 2404061943082708176.7.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 2404061943082708176.7.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 2404061943082708176.7.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 2404061943082708176 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=0
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=100
2404061943082708176.eigenfacs
2404061943082708176.atom
making animated gifs
11 models are in 2404061943082708176.8.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 2404061943082708176.8.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 2404061943082708176.8.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 2404061943082708176 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=0
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=100
2404061943082708176.eigenfacs
2404061943082708176.atom
making animated gifs
11 models are in 2404061943082708176.9.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 2404061943082708176.9.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 2404061943082708176.9.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 2404061943082708176 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=0
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=100
2404061943082708176.eigenfacs
2404061943082708176.atom
making animated gifs
11 models are in 2404061943082708176.10.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 2404061943082708176.10.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 2404061943082708176.10.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 2404061943082708176 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=-20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=0
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=20
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=40
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=60
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=80
2404061943082708176.eigenfacs
2404061943082708176.atom
calculating perturbed structure for DQ=100
2404061943082708176.eigenfacs
2404061943082708176.atom
making animated gifs
11 models are in 2404061943082708176.11.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 2404061943082708176.11.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 2404061943082708176.11.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
2404061943082708176.10.pdb
2404061943082708176.11.pdb
2404061943082708176.7.pdb
2404061943082708176.8.pdb
2404061943082708176.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.216s
user 0m7.184s
sys 0m0.032s
../../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: 2404061943082708176.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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