*** ***
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 = 2401051125413947256.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 2401051125413947256.atom to be opened.
Openam> File opened: 2401051125413947256.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 = 413
First residue number = 1
Last residue number = 413
Number of atoms found = 5958
Mean number per residue = 14.4
Pdbmat> Coordinate statistics:
= 21.732124 +/- 14.231346 From: -8.706000 To: 59.980000
= -11.369779 +/- 18.559599 From: -47.851000 To: 43.073000
= -16.030208 +/- 26.963152 From: -75.391000 To: 45.526000
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 2.0413 % Filled.
Pdbmat> 3260877 non-zero elements.
Pdbmat> 358411 atom-atom interactions.
Pdbmat> Number per atom= 120.31 +/- 42.60
Maximum number = 230
Minimum number = 23
Pdbmat> Matrix trace = 7.168220E+06
Pdbmat> Larger element = 845.901
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
413 non-zero elements, NRBL set to 3
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 = 2401051125413947256.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2401051125413947256.atom to be opened.
Openam> file on opening on unit 11:
2401051125413947256.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5958 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 413 residues.
Blocpdb> 54 atoms in block 1
Block first atom: 1
Blocpdb> 40 atoms in block 2
Block first atom: 55
Blocpdb> 37 atoms in block 3
Block first atom: 95
Blocpdb> 32 atoms in block 4
Block first atom: 132
Blocpdb> 48 atoms in block 5
Block first atom: 164
Blocpdb> 51 atoms in block 6
Block first atom: 212
Blocpdb> 42 atoms in block 7
Block first atom: 263
Blocpdb> 45 atoms in block 8
Block first atom: 305
Blocpdb> 36 atoms in block 9
Block first atom: 350
Blocpdb> 40 atoms in block 10
Block first atom: 386
Blocpdb> 43 atoms in block 11
Block first atom: 426
Blocpdb> 45 atoms in block 12
Block first atom: 469
Blocpdb> 36 atoms in block 13
Block first atom: 514
Blocpdb> 38 atoms in block 14
Block first atom: 550
Blocpdb> 30 atoms in block 15
Block first atom: 588
Blocpdb> 36 atoms in block 16
Block first atom: 618
Blocpdb> 35 atoms in block 17
Block first atom: 654
Blocpdb> 38 atoms in block 18
Block first atom: 689
Blocpdb> 30 atoms in block 19
Block first atom: 727
Blocpdb> 39 atoms in block 20
Block first atom: 757
Blocpdb> 52 atoms in block 21
Block first atom: 796
Blocpdb> 46 atoms in block 22
Block first atom: 848
Blocpdb> 46 atoms in block 23
Block first atom: 894
Blocpdb> 52 atoms in block 24
Block first atom: 940
Blocpdb> 50 atoms in block 25
Block first atom: 992
Blocpdb> 54 atoms in block 26
Block first atom: 1042
Blocpdb> 52 atoms in block 27
Block first atom: 1096
Blocpdb> 42 atoms in block 28
Block first atom: 1148
Blocpdb> 41 atoms in block 29
Block first atom: 1190
Blocpdb> 28 atoms in block 30
Block first atom: 1231
Blocpdb> 46 atoms in block 31
Block first atom: 1259
Blocpdb> 41 atoms in block 32
Block first atom: 1305
Blocpdb> 38 atoms in block 33
Block first atom: 1346
Blocpdb> 43 atoms in block 34
Block first atom: 1384
Blocpdb> 54 atoms in block 35
Block first atom: 1427
Blocpdb> 35 atoms in block 36
Block first atom: 1481
Blocpdb> 41 atoms in block 37
Block first atom: 1516
Blocpdb> 53 atoms in block 38
Block first atom: 1557
Blocpdb> 37 atoms in block 39
Block first atom: 1610
Blocpdb> 41 atoms in block 40
Block first atom: 1647
Blocpdb> 43 atoms in block 41
Block first atom: 1688
Blocpdb> 38 atoms in block 42
Block first atom: 1731
Blocpdb> 40 atoms in block 43
Block first atom: 1769
Blocpdb> 45 atoms in block 44
Block first atom: 1809
Blocpdb> 48 atoms in block 45
Block first atom: 1854
Blocpdb> 55 atoms in block 46
Block first atom: 1902
Blocpdb> 58 atoms in block 47
Block first atom: 1957
Blocpdb> 37 atoms in block 48
Block first atom: 2015
Blocpdb> 52 atoms in block 49
Block first atom: 2052
Blocpdb> 40 atoms in block 50
Block first atom: 2104
Blocpdb> 43 atoms in block 51
Block first atom: 2144
Blocpdb> 41 atoms in block 52
Block first atom: 2187
Blocpdb> 44 atoms in block 53
Block first atom: 2228
Blocpdb> 35 atoms in block 54
Block first atom: 2272
Blocpdb> 35 atoms in block 55
Block first atom: 2307
Blocpdb> 46 atoms in block 56
Block first atom: 2342
Blocpdb> 36 atoms in block 57
Block first atom: 2388
Blocpdb> 51 atoms in block 58
Block first atom: 2424
Blocpdb> 35 atoms in block 59
Block first atom: 2475
Blocpdb> 44 atoms in block 60
Block first atom: 2510
Blocpdb> 35 atoms in block 61
Block first atom: 2554
Blocpdb> 42 atoms in block 62
Block first atom: 2589
Blocpdb> 47 atoms in block 63
Block first atom: 2631
Blocpdb> 50 atoms in block 64
Block first atom: 2678
Blocpdb> 47 atoms in block 65
Block first atom: 2728
Blocpdb> 47 atoms in block 66
Block first atom: 2775
Blocpdb> 36 atoms in block 67
Block first atom: 2822
Blocpdb> 49 atoms in block 68
Block first atom: 2858
Blocpdb> 41 atoms in block 69
Block first atom: 2907
Blocpdb> 31 atoms in block 70
Block first atom: 2948
Blocpdb> 38 atoms in block 71
Block first atom: 2979
Blocpdb> 67 atoms in block 72
Block first atom: 3017
Blocpdb> 60 atoms in block 73
Block first atom: 3084
Blocpdb> 38 atoms in block 74
Block first atom: 3144
Blocpdb> 50 atoms in block 75
Block first atom: 3182
Blocpdb> 35 atoms in block 76
Block first atom: 3232
Blocpdb> 47 atoms in block 77
Block first atom: 3267
Blocpdb> 56 atoms in block 78
Block first atom: 3314
Blocpdb> 38 atoms in block 79
Block first atom: 3370
Blocpdb> 52 atoms in block 80
Block first atom: 3408
Blocpdb> 62 atoms in block 81
Block first atom: 3460
Blocpdb> 58 atoms in block 82
Block first atom: 3522
Blocpdb> 62 atoms in block 83
Block first atom: 3580
Blocpdb> 49 atoms in block 84
Block first atom: 3642
Blocpdb> 41 atoms in block 85
Block first atom: 3691
Blocpdb> 41 atoms in block 86
Block first atom: 3732
Blocpdb> 38 atoms in block 87
Block first atom: 3773
Blocpdb> 45 atoms in block 88
Block first atom: 3811
Blocpdb> 42 atoms in block 89
Block first atom: 3856
Blocpdb> 67 atoms in block 90
Block first atom: 3898
Blocpdb> 48 atoms in block 91
Block first atom: 3965
Blocpdb> 30 atoms in block 92
Block first atom: 4013
Blocpdb> 40 atoms in block 93
Block first atom: 4043
Blocpdb> 34 atoms in block 94
Block first atom: 4083
Blocpdb> 47 atoms in block 95
Block first atom: 4117
Blocpdb> 62 atoms in block 96
Block first atom: 4164
Blocpdb> 50 atoms in block 97
Block first atom: 4226
Blocpdb> 52 atoms in block 98
Block first atom: 4276
Blocpdb> 50 atoms in block 99
Block first atom: 4328
Blocpdb> 58 atoms in block 100
Block first atom: 4378
Blocpdb> 43 atoms in block 101
Block first atom: 4436
Blocpdb> 52 atoms in block 102
Block first atom: 4479
Blocpdb> 56 atoms in block 103
Block first atom: 4531
Blocpdb> 40 atoms in block 104
Block first atom: 4587
Blocpdb> 51 atoms in block 105
Block first atom: 4627
Blocpdb> 53 atoms in block 106
Block first atom: 4678
Blocpdb> 41 atoms in block 107
Block first atom: 4731
Blocpdb> 28 atoms in block 108
Block first atom: 4772
Blocpdb> 27 atoms in block 109
Block first atom: 4800
Blocpdb> 36 atoms in block 110
Block first atom: 4827
Blocpdb> 24 atoms in block 111
Block first atom: 4863
Blocpdb> 53 atoms in block 112
Block first atom: 4887
Blocpdb> 33 atoms in block 113
Block first atom: 4940
Blocpdb> 25 atoms in block 114
Block first atom: 4973
Blocpdb> 32 atoms in block 115
Block first atom: 4998
Blocpdb> 33 atoms in block 116
Block first atom: 5030
Blocpdb> 37 atoms in block 117
Block first atom: 5063
Blocpdb> 40 atoms in block 118
Block first atom: 5100
Blocpdb> 40 atoms in block 119
Block first atom: 5140
Blocpdb> 35 atoms in block 120
Block first atom: 5180
Blocpdb> 46 atoms in block 121
Block first atom: 5215
Blocpdb> 45 atoms in block 122
Block first atom: 5261
Blocpdb> 40 atoms in block 123
Block first atom: 5306
Blocpdb> 51 atoms in block 124
Block first atom: 5346
Blocpdb> 32 atoms in block 125
Block first atom: 5397
Blocpdb> 44 atoms in block 126
Block first atom: 5429
Blocpdb> 50 atoms in block 127
Block first atom: 5473
Blocpdb> 41 atoms in block 128
Block first atom: 5523
Blocpdb> 52 atoms in block 129
Block first atom: 5564
Blocpdb> 32 atoms in block 130
Block first atom: 5616
Blocpdb> 32 atoms in block 131
Block first atom: 5648
Blocpdb> 48 atoms in block 132
Block first atom: 5680
Blocpdb> 38 atoms in block 133
Block first atom: 5728
Blocpdb> 42 atoms in block 134
Block first atom: 5766
Blocpdb> 39 atoms in block 135
Block first atom: 5808
Blocpdb> 46 atoms in block 136
Block first atom: 5847
Blocpdb> 43 atoms in block 137
Block first atom: 5893
Blocpdb> 23 atoms in block 138
Block first atom: 5935
Blocpdb> 138 blocks.
Blocpdb> At most, 67 atoms in each of them.
Blocpdb> At least, 23 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> 3261015 matrix lines read.
Prepmat> Matrix order = 17874
Prepmat> Matrix trace = 7168220.0000
Prepmat> Last element read: 17874 17874 137.1650
Prepmat> 9592 lines saved.
Prepmat> 8631 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: 5958
RTB> Total mass = 5958.0000
RTB> Number of atoms found in matrix: 5958
RTB> Number of blocks = 138
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 239574.5324
RTB> 32490 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 = 828
Diagstd> Nb of non-zero elements: 32490
Diagstd> Projected matrix trace = 239574.5324
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 828 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 239574.5324
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 0.0005566 0.0024175 0.0039935 0.0314164
0.1036786 0.1333143 0.2013035 0.3718578 0.4292119
0.5007655 0.5580947 0.7463000 0.8035445 0.9675000
1.1324367 1.2363350 1.3180133 1.4121013 1.8285920
1.8764279 2.4325418 2.6352835 2.7750944 3.0046402
3.1551555 3.2423683 3.8100615 4.0348808 4.3326157
4.6149667 5.1373711 5.2690719 5.7340453 5.9546364
5.9776522 6.0960767 6.2906566 7.0884501 7.2883391
7.5559329 7.7226748 8.1689709 8.7171902 8.9686856
9.1637652 10.2607885 10.6229674 11.0886849 11.2943473
11.8798379 12.2573929 12.7820935 13.4622312 14.1450387
14.4407410 14.5905982 14.8739986 15.4311144 16.3738233
16.9797937 17.2295178 18.2979464 18.9870448 19.6420422
19.9441787 20.7504036 20.9497381 22.3904954 23.1043144
23.4192095 24.1664877 24.3911812 25.1558253 25.7661506
27.0634880 27.8984236 28.2488804 29.2059433 29.4677913
30.3169448 31.0844520 31.9045578 33.2803366 33.9254032
36.0794955 36.2659982 37.5675138 37.9570980 39.4132723
39.6414568 40.3858160 41.0722814 42.2835761 42.7648409
42.9912079 43.8354750 44.4967820 45.7079507 46.2430410
46.5837356
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034316 0.0034329 0.0034333 0.0034339 0.0034346
0.0034352 2.5620146 5.3392798 6.8623007 19.2474545
34.9655161 39.6491279 48.7215300 66.2191648 71.1428356
76.8444428 81.1239752 93.8106166 97.3419980 106.8121769
115.5585934 120.7433877 124.6680537 129.0411434 146.8431505
148.7514551 169.3656889 176.2824002 180.8981646 188.2311606
192.8882024 195.5358757 211.9635934 218.1276058 226.0322278
233.2811056 246.1306792 249.2655973 260.0314265 264.9859844
265.4976017 268.1146179 272.3599657 289.1151981 293.1632757
298.4965567 301.7721483 310.3694418 320.6147817 325.2068470
328.7246380 347.8449061 353.9306754 361.6057282 364.9436814
374.2833751 380.1844362 388.2364216 398.4316248 408.4109247
412.6577626 414.7933916 418.8023868 426.5735524 439.4103987
447.4674877 450.7459594 464.5114840 473.1773724 481.2697890
484.9571410 494.6620057 497.0322619 513.8390801 521.9655293
525.5104976 533.8288594 536.3048153 544.6463098 551.2137608
564.9202786 573.5682624 577.1595685 586.8551216 589.4799975
597.9130012 605.4341140 613.3687496 626.4539260 632.4960087
652.2671521 653.9508338 665.5819066 669.0241281 681.7364698
683.7070895 690.0963199 695.9366269 706.1242646 710.1313905
712.0083779 718.9656451 724.3685437 734.1607383 738.4455427
741.1607914
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5958
Rtb_to_modes> Number of blocs = 138
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: 9.9863E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9936E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9963E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9996E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.5664E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.4175E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.9935E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.1416E-02
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1037
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1333
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2013
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.3719
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.4292
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.5008
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5581
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.7463
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.8035
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.9675
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 1.132
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 1.236
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 1.318
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 1.412
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 1.829
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.876
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2.433
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2.635
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2.775
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 3.005
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 3.155
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 3.242
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3.810
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 4.035
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 4.333
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 4.615
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 5.137
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 5.269
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 5.734
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 5.955
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 5.978
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 6.096
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 6.291
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 7.088
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 7.288
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 7.556
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 7.723
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 8.169
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 8.717
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 8.969
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 9.164
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 10.26
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 10.62
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 11.09
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 11.29
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 12.26
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 12.78
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 13.46
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 14.15
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 14.44
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 14.59
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 14.87
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 15.43
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 16.37
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 16.98
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 17.23
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 18.30
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 18.99
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 19.64
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 19.94
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 20.75
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 20.95
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 22.39
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 23.10
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 23.42
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 24.17
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 24.39
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 25.16
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 25.77
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 27.06
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 27.90
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 29.21
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 29.47
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 30.32
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 31.08
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 31.90
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 33.28
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 33.93
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 36.08
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 36.27
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 37.57
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 37.96
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 39.41
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 39.64
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 40.39
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 41.07
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 42.28
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 42.76
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 42.99
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 43.84
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 44.50
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 45.71
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 46.24
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 46.58
Rtb_to_modes> 106 vectors, with 828 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00001 0.99999 1.00001 0.99999
1.00001 0.99999 1.00002 1.00001 1.00000
0.99999 1.00000 1.00000 1.00001 1.00002
1.00000 1.00005 1.00003 0.99999 1.00005
1.00000 1.00003 0.99997 0.99998 0.99997
0.99998 1.00000 0.99999 0.99998 1.00003
0.99999 0.99998 1.00000 0.99998 1.00001
0.99998 0.99998 0.99999 1.00000 1.00000
1.00003 1.00002 1.00000 0.99998 1.00001
1.00001 0.99999 0.99999 1.00000 1.00000
0.99997 0.99997 1.00004 0.99998 1.00001
1.00000 0.99998 1.00000 1.00002 0.99999
1.00002 0.99997 1.00000 1.00000 0.99999
1.00003 1.00003 1.00001 0.99995 1.00001
1.00002 1.00001 1.00000 0.99999 1.00000
1.00000 0.99998 1.00001 1.00002 0.99999
1.00001 1.00002 0.99997 1.00000 1.00000
1.00000 0.99999 1.00001 1.00003 1.00003
0.99998 0.99999 0.99998 0.99999 0.99998
0.99999 0.99997 1.00001 1.00004 1.00001
1.00001 1.00001 0.99999 0.99997 1.00001
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 107244 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00001 0.99999 1.00001 0.99999
1.00001 0.99999 1.00002 1.00001 1.00000
0.99999 1.00000 1.00000 1.00001 1.00002
1.00000 1.00005 1.00003 0.99999 1.00005
1.00000 1.00003 0.99997 0.99998 0.99997
0.99998 1.00000 0.99999 0.99998 1.00003
0.99999 0.99998 1.00000 0.99998 1.00001
0.99998 0.99998 0.99999 1.00000 1.00000
1.00003 1.00002 1.00000 0.99998 1.00001
1.00001 0.99999 0.99999 1.00000 1.00000
0.99997 0.99997 1.00004 0.99998 1.00001
1.00000 0.99998 1.00000 1.00002 0.99999
1.00002 0.99997 1.00000 1.00000 0.99999
1.00003 1.00003 1.00001 0.99995 1.00001
1.00002 1.00001 1.00000 0.99999 1.00000
1.00000 0.99998 1.00001 1.00002 0.99999
1.00001 1.00002 0.99997 1.00000 1.00000
1.00000 0.99999 1.00001 1.00003 1.00003
0.99998 0.99999 0.99998 0.99999 0.99998
0.99999 0.99997 1.00001 1.00004 1.00001
1.00001 1.00001 0.99999 0.99997 1.00001
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> 2401051125413947256.eigenfacs
Openam> file on opening on unit 10:
2401051125413947256.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401051125413947256.atom
Openam> file on opening on unit 11:
2401051125413947256.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 = 413
First residue number = 1
Last residue number = 413
Number of atoms found = 5958
Mean number per residue = 14.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9863E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9936E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9996E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.5664E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.4175E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.9935E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.1416E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1037
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4292
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5581
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7463
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9675
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 1.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 1.236
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 1.318
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 1.412
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 1.829
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.876
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2.433
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2.635
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2.775
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 3.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 3.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 3.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3.810
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 4.035
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 4.333
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 4.615
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 5.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 5.269
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 5.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 5.955
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 5.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 6.096
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 6.291
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 7.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 7.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 7.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 7.723
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 8.169
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 8.717
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 8.969
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 9.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 10.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 10.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 11.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 12.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 12.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 13.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 14.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 14.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 14.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 14.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 15.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 16.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 17.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 18.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 18.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 19.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 19.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 20.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 20.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 22.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 23.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 23.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 24.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 24.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 25.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 25.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 27.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 27.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 29.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 29.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 30.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 31.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 31.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 33.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 33.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 36.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 36.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 37.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 37.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 39.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 39.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 40.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 41.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 42.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 42.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 42.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 43.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 44.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 45.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 46.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 46.58
Bfactors> 106 vectors, 17874 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 : 0.000557
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= 0.491 for 413 C-alpha atoms.
Bfactors> = 6.643 +/- 10.48
Bfactors> = 11.635 +/- 6.27
Bfactors> Shiftng-fct= 4.992
Bfactors> Scaling-fct= 0.599
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401051125413947256 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=0
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=100
2401051125413947256.eigenfacs
2401051125413947256.atom
making animated gifs
11 models are in 2401051125413947256.7.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 2401051125413947256.7.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 2401051125413947256.7.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 2401051125413947256 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=0
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=100
2401051125413947256.eigenfacs
2401051125413947256.atom
making animated gifs
11 models are in 2401051125413947256.8.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 2401051125413947256.8.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 2401051125413947256.8.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 2401051125413947256 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=0
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=100
2401051125413947256.eigenfacs
2401051125413947256.atom
making animated gifs
11 models are in 2401051125413947256.9.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 2401051125413947256.9.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 2401051125413947256.9.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 2401051125413947256 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=0
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=100
2401051125413947256.eigenfacs
2401051125413947256.atom
making animated gifs
11 models are in 2401051125413947256.10.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 2401051125413947256.10.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 2401051125413947256.10.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 2401051125413947256 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=-20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=0
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=20
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=40
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=60
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=80
2401051125413947256.eigenfacs
2401051125413947256.atom
calculating perturbed structure for DQ=100
2401051125413947256.eigenfacs
2401051125413947256.atom
making animated gifs
11 models are in 2401051125413947256.11.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 2401051125413947256.11.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 2401051125413947256.11.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
2401051125413947256.10.pdb
2401051125413947256.11.pdb
2401051125413947256.7.pdb
2401051125413947256.8.pdb
2401051125413947256.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m20.888s
user 0m20.712s
sys 0m0.176s
../../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: 2401051125413947256.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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