*** IMMUNE SYSTEM 21-JAN-09 3FXI ***
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 = 2403091708162514529.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 2403091708162514529.atom to be opened.
Openam> File opened: 2403091708162514529.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 = 601
First residue number = 27
Last residue number = 627
Number of atoms found = 4803
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 17.976118 +/- 10.320057 From: -9.080000 To: 44.769000
= -11.573146 +/- 23.139351 From: -52.813000 To: 47.109000
= -30.320087 +/- 19.385260 From: -73.735000 To: 5.048000
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 1.7621 % Filled.
Pdbmat> 1829309 non-zero elements.
Pdbmat> 200089 atom-atom interactions.
Pdbmat> Number per atom= 83.32 +/- 20.79
Maximum number = 131
Minimum number = 17
Pdbmat> Matrix trace = 4.001780E+06
Pdbmat> Larger element = 486.351
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
601 non-zero elements, NRBL set to 4
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 = 2403091708162514529.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2403091708162514529.atom to be opened.
Openam> file on opening on unit 11:
2403091708162514529.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4803 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 601 residues.
Blocpdb> 29 atoms in block 1
Block first atom: 1
Blocpdb> 30 atoms in block 2
Block first atom: 30
Blocpdb> 35 atoms in block 3
Block first atom: 60
Blocpdb> 32 atoms in block 4
Block first atom: 95
Blocpdb> 39 atoms in block 5
Block first atom: 127
Blocpdb> 32 atoms in block 6
Block first atom: 166
Blocpdb> 34 atoms in block 7
Block first atom: 198
Blocpdb> 30 atoms in block 8
Block first atom: 232
Blocpdb> 30 atoms in block 9
Block first atom: 262
Blocpdb> 34 atoms in block 10
Block first atom: 292
Blocpdb> 33 atoms in block 11
Block first atom: 326
Blocpdb> 35 atoms in block 12
Block first atom: 359
Blocpdb> 35 atoms in block 13
Block first atom: 394
Blocpdb> 33 atoms in block 14
Block first atom: 429
Blocpdb> 30 atoms in block 15
Block first atom: 462
Blocpdb> 34 atoms in block 16
Block first atom: 492
Blocpdb> 33 atoms in block 17
Block first atom: 526
Blocpdb> 29 atoms in block 18
Block first atom: 559
Blocpdb> 29 atoms in block 19
Block first atom: 588
Blocpdb> 31 atoms in block 20
Block first atom: 617
Blocpdb> 31 atoms in block 21
Block first atom: 648
Blocpdb> 27 atoms in block 22
Block first atom: 679
Blocpdb> 28 atoms in block 23
Block first atom: 706
Blocpdb> 28 atoms in block 24
Block first atom: 734
Blocpdb> 24 atoms in block 25
Block first atom: 762
Blocpdb> 32 atoms in block 26
Block first atom: 786
Blocpdb> 27 atoms in block 27
Block first atom: 818
Blocpdb> 32 atoms in block 28
Block first atom: 845
Blocpdb> 28 atoms in block 29
Block first atom: 877
Blocpdb> 34 atoms in block 30
Block first atom: 905
Blocpdb> 31 atoms in block 31
Block first atom: 939
Blocpdb> 33 atoms in block 32
Block first atom: 970
Blocpdb> 28 atoms in block 33
Block first atom: 1003
Blocpdb> 34 atoms in block 34
Block first atom: 1031
Blocpdb> 35 atoms in block 35
Block first atom: 1065
Blocpdb> 36 atoms in block 36
Block first atom: 1100
Blocpdb> 33 atoms in block 37
Block first atom: 1136
Blocpdb> 32 atoms in block 38
Block first atom: 1169
Blocpdb> 34 atoms in block 39
Block first atom: 1201
Blocpdb> 29 atoms in block 40
Block first atom: 1235
Blocpdb> 31 atoms in block 41
Block first atom: 1264
Blocpdb> 33 atoms in block 42
Block first atom: 1295
Blocpdb> 34 atoms in block 43
Block first atom: 1328
Blocpdb> 34 atoms in block 44
Block first atom: 1362
Blocpdb> 32 atoms in block 45
Block first atom: 1396
Blocpdb> 30 atoms in block 46
Block first atom: 1428
Blocpdb> 29 atoms in block 47
Block first atom: 1458
Blocpdb> 35 atoms in block 48
Block first atom: 1487
Blocpdb> 25 atoms in block 49
Block first atom: 1522
Blocpdb> 37 atoms in block 50
Block first atom: 1547
Blocpdb> 38 atoms in block 51
Block first atom: 1584
Blocpdb> 34 atoms in block 52
Block first atom: 1622
Blocpdb> 35 atoms in block 53
Block first atom: 1656
Blocpdb> 29 atoms in block 54
Block first atom: 1691
Blocpdb> 30 atoms in block 55
Block first atom: 1720
Blocpdb> 29 atoms in block 56
Block first atom: 1750
Blocpdb> 26 atoms in block 57
Block first atom: 1779
Blocpdb> 36 atoms in block 58
Block first atom: 1805
Blocpdb> 28 atoms in block 59
Block first atom: 1841
Blocpdb> 39 atoms in block 60
Block first atom: 1869
Blocpdb> 29 atoms in block 61
Block first atom: 1908
Blocpdb> 37 atoms in block 62
Block first atom: 1937
Blocpdb> 28 atoms in block 63
Block first atom: 1974
Blocpdb> 26 atoms in block 64
Block first atom: 2002
Blocpdb> 32 atoms in block 65
Block first atom: 2028
Blocpdb> 39 atoms in block 66
Block first atom: 2060
Blocpdb> 33 atoms in block 67
Block first atom: 2099
Blocpdb> 40 atoms in block 68
Block first atom: 2132
Blocpdb> 32 atoms in block 69
Block first atom: 2172
Blocpdb> 33 atoms in block 70
Block first atom: 2204
Blocpdb> 30 atoms in block 71
Block first atom: 2237
Blocpdb> 29 atoms in block 72
Block first atom: 2267
Blocpdb> 28 atoms in block 73
Block first atom: 2296
Blocpdb> 35 atoms in block 74
Block first atom: 2324
Blocpdb> 35 atoms in block 75
Block first atom: 2359
Blocpdb> 37 atoms in block 76
Block first atom: 2394
Blocpdb> 37 atoms in block 77
Block first atom: 2431
Blocpdb> 32 atoms in block 78
Block first atom: 2468
Blocpdb> 34 atoms in block 79
Block first atom: 2500
Blocpdb> 31 atoms in block 80
Block first atom: 2534
Blocpdb> 32 atoms in block 81
Block first atom: 2565
Blocpdb> 32 atoms in block 82
Block first atom: 2597
Blocpdb> 37 atoms in block 83
Block first atom: 2629
Blocpdb> 30 atoms in block 84
Block first atom: 2666
Blocpdb> 21 atoms in block 85
Block first atom: 2696
Blocpdb> 33 atoms in block 86
Block first atom: 2717
Blocpdb> 29 atoms in block 87
Block first atom: 2750
Blocpdb> 36 atoms in block 88
Block first atom: 2779
Blocpdb> 33 atoms in block 89
Block first atom: 2815
Blocpdb> 26 atoms in block 90
Block first atom: 2848
Blocpdb> 30 atoms in block 91
Block first atom: 2874
Blocpdb> 27 atoms in block 92
Block first atom: 2904
Blocpdb> 30 atoms in block 93
Block first atom: 2931
Blocpdb> 30 atoms in block 94
Block first atom: 2961
Blocpdb> 36 atoms in block 95
Block first atom: 2991
Blocpdb> 29 atoms in block 96
Block first atom: 3027
Blocpdb> 30 atoms in block 97
Block first atom: 3056
Blocpdb> 31 atoms in block 98
Block first atom: 3086
Blocpdb> 29 atoms in block 99
Block first atom: 3117
Blocpdb> 36 atoms in block 100
Block first atom: 3146
Blocpdb> 36 atoms in block 101
Block first atom: 3182
Blocpdb> 32 atoms in block 102
Block first atom: 3218
Blocpdb> 32 atoms in block 103
Block first atom: 3250
Blocpdb> 33 atoms in block 104
Block first atom: 3282
Blocpdb> 33 atoms in block 105
Block first atom: 3315
Blocpdb> 35 atoms in block 106
Block first atom: 3348
Blocpdb> 36 atoms in block 107
Block first atom: 3383
Blocpdb> 33 atoms in block 108
Block first atom: 3419
Blocpdb> 30 atoms in block 109
Block first atom: 3452
Blocpdb> 31 atoms in block 110
Block first atom: 3482
Blocpdb> 31 atoms in block 111
Block first atom: 3513
Blocpdb> 29 atoms in block 112
Block first atom: 3544
Blocpdb> 32 atoms in block 113
Block first atom: 3573
Blocpdb> 23 atoms in block 114
Block first atom: 3605
Blocpdb> 37 atoms in block 115
Block first atom: 3628
Blocpdb> 34 atoms in block 116
Block first atom: 3665
Blocpdb> 35 atoms in block 117
Block first atom: 3699
Blocpdb> 35 atoms in block 118
Block first atom: 3734
Blocpdb> 34 atoms in block 119
Block first atom: 3769
Blocpdb> 29 atoms in block 120
Block first atom: 3803
Blocpdb> 35 atoms in block 121
Block first atom: 3832
Blocpdb> 28 atoms in block 122
Block first atom: 3867
Blocpdb> 30 atoms in block 123
Block first atom: 3895
Blocpdb> 28 atoms in block 124
Block first atom: 3925
Blocpdb> 32 atoms in block 125
Block first atom: 3953
Blocpdb> 32 atoms in block 126
Block first atom: 3985
Blocpdb> 36 atoms in block 127
Block first atom: 4017
Blocpdb> 34 atoms in block 128
Block first atom: 4053
Blocpdb> 34 atoms in block 129
Block first atom: 4087
Blocpdb> 30 atoms in block 130
Block first atom: 4121
Blocpdb> 32 atoms in block 131
Block first atom: 4151
Blocpdb> 34 atoms in block 132
Block first atom: 4183
Blocpdb> 33 atoms in block 133
Block first atom: 4217
Blocpdb> 33 atoms in block 134
Block first atom: 4250
Blocpdb> 36 atoms in block 135
Block first atom: 4283
Blocpdb> 30 atoms in block 136
Block first atom: 4319
Blocpdb> 32 atoms in block 137
Block first atom: 4349
Blocpdb> 32 atoms in block 138
Block first atom: 4381
Blocpdb> 32 atoms in block 139
Block first atom: 4413
Blocpdb> 28 atoms in block 140
Block first atom: 4445
Blocpdb> 36 atoms in block 141
Block first atom: 4473
Blocpdb> 39 atoms in block 142
Block first atom: 4509
Blocpdb> 37 atoms in block 143
Block first atom: 4548
Blocpdb> 32 atoms in block 144
Block first atom: 4585
Blocpdb> 36 atoms in block 145
Block first atom: 4617
Blocpdb> 28 atoms in block 146
Block first atom: 4653
Blocpdb> 28 atoms in block 147
Block first atom: 4681
Blocpdb> 30 atoms in block 148
Block first atom: 4709
Blocpdb> 28 atoms in block 149
Block first atom: 4739
Blocpdb> 31 atoms in block 150
Block first atom: 4767
Blocpdb> 6 atoms in block 151
Block first atom: 4797
Blocpdb> 151 blocks.
Blocpdb> At most, 40 atoms in each of them.
Blocpdb> At least, 6 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> 1829460 matrix lines read.
Prepmat> Matrix order = 14409
Prepmat> Matrix trace = 4001780.0000
Prepmat> Last element read: 14409 14409 185.8623
Prepmat> 11477 lines saved.
Prepmat> 10185 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: 4803
RTB> Total mass = 4803.0000
RTB> Number of atoms found in matrix: 4803
RTB> Number of blocks = 151
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 187341.8301
RTB> 44211 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 = 906
Diagstd> Nb of non-zero elements: 44211
Diagstd> Projected matrix trace = 187341.8301
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 906 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 187341.8301
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 0.0666382 0.1592783 0.3639616 0.5506993
1.1338646 1.4382027 2.1938238 3.1318265 3.6580457
4.1384730 4.9960763 6.0796127 6.5970166 7.3166493
8.4672661 9.9060305 10.8942795 11.1240421 12.4726190
14.0411592 14.4692719 15.3908264 16.4027501 17.8747366
19.0035999 19.2013215 21.0037387 21.2035020 23.3076818
23.6625899 24.5930293 25.6652355 26.0730722 26.9405764
28.7353607 29.3542277 30.1255920 30.3071406 31.5957717
32.9793512 33.5655229 33.7524999 34.5167763 35.2483067
35.4875003 36.0326886 36.7381782 37.6776461 39.2941784
39.7151650 40.0761224 40.5480435 41.2928060 41.6946638
42.0617185 42.8678633 43.4484847 43.5684508 44.5248913
44.7171816 45.7657567 45.9690110 46.7473553 46.8757760
47.3363684 47.8194806 48.0677528 49.2081383 49.3175105
49.6513243 49.9474143 50.5524669 51.0788792 51.3011010
52.2614845 52.5858390 52.8253329 53.8569211 54.1465897
54.4907854 54.7981170 55.7555717 56.1752743 56.6912549
57.0975091 57.4763480 57.7042080 58.1610191 58.4843143
58.8300166 59.5201038 60.3038186 60.7321880 60.9308620
61.9501522 62.1251178 63.1056281 63.9845967 64.2130862
65.0031035
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034306 0.0034327 0.0034331 0.0034336 0.0034339
0.0034348 28.0321872 43.3384655 65.5123312 80.5846920
115.6314260 130.2282893 160.8407726 192.1737773 207.6920372
220.9099825 242.7223749 267.7523175 278.9132003 293.7320924
315.9853045 341.7787920 358.4218999 362.1817739 383.5077186
406.9085004 413.0652100 426.0163335 439.7983689 459.1082597
473.3836128 475.8398825 497.6724316 500.0334733 524.2577037
528.2340818 538.5193267 550.1332658 554.4870199 563.6359970
582.1080521 588.3430262 596.0230772 597.8163133 610.3933084
623.6146860 629.1323085 630.8821690 637.9848920 644.7100046
646.8937946 651.8439128 658.1942569 666.5567977 680.7056986
684.3424274 687.4452688 691.4809690 697.8024313 701.1896849
704.2693470 710.9862447 715.7850071 716.7725077 724.5973048
726.1602835 734.6248316 736.2543275 742.4612690 743.4803858
747.1241045 750.9269789 752.8738105 761.7522531 762.5983358
765.1748704 767.4529951 772.0873857 776.0969199 777.7833166
785.0298146 787.4621423 789.2532913 796.9224127 799.0626560
801.5983488 803.8557046 810.8479382 813.8940642 817.6234063
820.5477550 823.2653994 824.8956672 828.1543439 830.4528533
832.9036508 837.7744670 843.2720134 846.2618133 847.6448765
854.7054421 855.9115617 862.6394736 868.6263481 870.1759021
875.5124501
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4803
Rtb_to_modes> Number of blocs = 151
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: 9.9805E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9929E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9952E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9981E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9996E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 6.6638E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1593
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3640
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5507
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.134
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.438
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.194
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.132
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.658
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.138
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.996
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.080
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.597
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.317
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.467
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 9.906
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.89
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.12
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 12.47
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 14.04
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 14.47
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 15.39
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 16.40
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 17.87
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 19.00
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 19.20
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 21.00
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 21.20
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 23.31
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 23.66
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 24.59
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 25.67
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 26.07
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 26.94
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 28.74
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 29.35
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 30.13
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 30.31
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 31.60
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 32.98
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 33.57
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 33.75
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 34.52
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 35.25
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 35.49
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 36.03
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 36.74
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 37.68
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 39.29
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 39.72
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 40.08
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 40.55
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 41.29
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 41.69
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 42.06
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 42.87
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 43.45
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 43.57
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 44.52
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 44.72
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 45.77
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 45.97
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 46.75
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 46.88
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 47.34
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 47.82
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 48.07
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 49.21
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 49.32
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 49.65
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 49.95
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 50.55
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 51.08
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 51.30
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 52.26
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 52.59
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 52.83
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 53.86
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 54.15
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 54.49
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 54.80
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 55.76
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 56.18
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 56.69
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 57.10
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 57.48
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 57.70
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 58.16
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 58.48
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 58.83
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 59.52
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 60.30
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 60.73
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 60.93
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 61.95
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 62.13
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 63.11
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 63.98
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 64.21
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 65.00
Rtb_to_modes> 106 vectors, with 906 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
0.99999 1.00000 0.99999 1.00000 0.99998
1.00001 0.99999 0.99998 0.99999 0.99999
1.00001 0.99998 1.00000 0.99999 1.00000
0.99999 1.00000 0.99999 0.99999 1.00000
1.00000 0.99998 1.00001 1.00002 0.99999
1.00000 0.99999 1.00004 1.00000 1.00000
1.00000 0.99998 1.00001 1.00000 0.99998
1.00001 1.00001 0.99998 1.00000 1.00002
0.99999 1.00001 1.00000 0.99998 0.99999
0.99998 1.00001 0.99998 0.99998 0.99998
0.99999 0.99999 0.99999 1.00000 1.00000
1.00002 1.00000 1.00001 0.99997 0.99999
1.00000 0.99999 0.99999 1.00001 1.00000
1.00000 1.00002 0.99999 0.99999 1.00001
1.00001 0.99999 0.99999 1.00000 0.99995
1.00001 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 1.00000 1.00002 1.00003
1.00000 1.00000 0.99998 0.99998 0.99999
1.00000 0.99997 1.00000 1.00000 0.99999
0.99999 1.00002 1.00002 1.00002 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 86454 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
0.99999 1.00000 0.99999 1.00000 0.99998
1.00001 0.99999 0.99998 0.99999 0.99999
1.00001 0.99998 1.00000 0.99999 1.00000
0.99999 1.00000 0.99999 0.99999 1.00000
1.00000 0.99998 1.00001 1.00002 0.99999
1.00000 0.99999 1.00004 1.00000 1.00000
1.00000 0.99998 1.00001 1.00000 0.99998
1.00001 1.00001 0.99998 1.00000 1.00002
0.99999 1.00001 1.00000 0.99998 0.99999
0.99998 1.00001 0.99998 0.99998 0.99998
0.99999 0.99999 0.99999 1.00000 1.00000
1.00002 1.00000 1.00001 0.99997 0.99999
1.00000 0.99999 0.99999 1.00001 1.00000
1.00000 1.00002 0.99999 0.99999 1.00001
1.00001 0.99999 0.99999 1.00000 0.99995
1.00001 1.00000 1.00000 0.99999 1.00000
1.00000 1.00001 1.00000 1.00002 1.00003
1.00000 1.00000 0.99998 0.99998 0.99999
1.00000 0.99997 1.00000 1.00000 0.99999
0.99999 1.00002 1.00002 1.00002 1.00000
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> 2403091708162514529.eigenfacs
Openam> file on opening on unit 10:
2403091708162514529.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403091708162514529.atom
Openam> file on opening on unit 11:
2403091708162514529.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 = 601
First residue number = 27
Last residue number = 627
Number of atoms found = 4803
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9805E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9929E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9981E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9996E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 6.6638E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1593
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3640
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.134
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.438
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.658
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.996
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.080
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.597
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.317
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.906
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 12.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 14.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 14.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 15.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 16.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 17.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 19.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 21.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 21.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 23.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 23.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 24.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 25.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 26.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 26.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 28.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 29.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 30.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 30.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 31.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 32.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 33.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 33.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 34.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 35.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 35.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 36.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 36.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 37.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 39.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 39.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 40.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 40.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 41.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 41.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 42.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 42.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 43.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 43.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 44.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 44.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 45.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 45.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 46.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 46.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 47.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 47.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 48.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 49.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 49.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 49.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 49.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 50.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 51.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 51.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 52.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 52.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 52.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 53.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 54.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 54.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 54.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 55.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 56.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 56.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 57.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 57.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 57.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 58.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 58.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 58.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 59.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 60.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 60.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 60.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 61.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 62.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 63.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 63.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 64.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 65.00
Bfactors> 106 vectors, 14409 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 : 0.066638
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= 0.739 for 601 C-alpha atoms.
Bfactors> = 0.102 +/- 0.10
Bfactors> = 81.177 +/- 30.47
Bfactors> Shiftng-fct= 81.075
Bfactors> Scaling-fct= 301.536
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403091708162514529 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=0
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=100
2403091708162514529.eigenfacs
2403091708162514529.atom
making animated gifs
11 models are in 2403091708162514529.7.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 2403091708162514529.7.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 2403091708162514529.7.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 2403091708162514529 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=0
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=100
2403091708162514529.eigenfacs
2403091708162514529.atom
making animated gifs
11 models are in 2403091708162514529.8.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 2403091708162514529.8.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 2403091708162514529.8.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 2403091708162514529 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=0
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=100
2403091708162514529.eigenfacs
2403091708162514529.atom
making animated gifs
11 models are in 2403091708162514529.9.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 2403091708162514529.9.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 2403091708162514529.9.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 2403091708162514529 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=0
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=100
2403091708162514529.eigenfacs
2403091708162514529.atom
making animated gifs
11 models are in 2403091708162514529.10.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 2403091708162514529.10.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 2403091708162514529.10.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 2403091708162514529 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=-20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=0
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=20
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=40
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=60
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=80
2403091708162514529.eigenfacs
2403091708162514529.atom
calculating perturbed structure for DQ=100
2403091708162514529.eigenfacs
2403091708162514529.atom
making animated gifs
11 models are in 2403091708162514529.11.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 2403091708162514529.11.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 2403091708162514529.11.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
2403091708162514529.10.pdb
2403091708162514529.11.pdb
2403091708162514529.7.pdb
2403091708162514529.8.pdb
2403091708162514529.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m18.363s
user 0m18.295s
sys 0m0.068s
../../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: 2403091708162514529.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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