*** TPPPabetacomplexfinal ***
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 = 2403121403332929802.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 2403121403332929802.atom to be opened.
Openam> File opened: 2403121403332929802.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 = 261
First residue number = 1
Last residue number = 42
Number of atoms found = 3971
Mean number per residue = 15.2
Pdbmat> Coordinate statistics:
= 44.078957 +/- 12.874898 From: 16.950000 To: 76.390000
= 49.365385 +/- 13.225282 From: 15.885000 To: 77.455000
= 50.155053 +/- 9.206370 From: 21.665000 To: 71.675000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.4908 % Filled.
Pdbmat> 2477269 non-zero elements.
Pdbmat> 273061 atom-atom interactions.
Pdbmat> Number per atom= 137.53 +/- 45.19
Maximum number = 233
Minimum number = 18
Pdbmat> Matrix trace = 5.461220E+06
Pdbmat> Larger element = 838.651
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
261 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2403121403332929802.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2403121403332929802.atom to be opened.
Openam> file on opening on unit 11:
2403121403332929802.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3971 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 261 residues.
Blocpdb> 29 atoms in block 1
Block first atom: 1
Blocpdb> 34 atoms in block 2
Block first atom: 30
Blocpdb> 32 atoms in block 3
Block first atom: 64
Blocpdb> 24 atoms in block 4
Block first atom: 96
Blocpdb> 32 atoms in block 5
Block first atom: 120
Blocpdb> 24 atoms in block 6
Block first atom: 152
Blocpdb> 38 atoms in block 7
Block first atom: 176
Blocpdb> 28 atoms in block 8
Block first atom: 214
Blocpdb> 33 atoms in block 9
Block first atom: 242
Blocpdb> 21 atoms in block 10
Block first atom: 275
Blocpdb> 26 atoms in block 11
Block first atom: 296
Blocpdb> 33 atoms in block 12
Block first atom: 322
Blocpdb> 36 atoms in block 13
Block first atom: 355
Blocpdb> 20 atoms in block 14
Block first atom: 391
Blocpdb> 46 atoms in block 15
Block first atom: 411
Blocpdb> 30 atoms in block 16
Block first atom: 457
Blocpdb> 34 atoms in block 17
Block first atom: 487
Blocpdb> 26 atoms in block 18
Block first atom: 521
Blocpdb> 17 atoms in block 19
Block first atom: 547
Blocpdb> 22 atoms in block 20
Block first atom: 564
Blocpdb> 17 atoms in block 21
Block first atom: 586
Blocpdb> 20 atoms in block 22
Block first atom: 603
Blocpdb> 25 atoms in block 23
Block first atom: 623
Blocpdb> 34 atoms in block 24
Block first atom: 648
Blocpdb> 21 atoms in block 25
Block first atom: 682
Blocpdb> 34 atoms in block 26
Block first atom: 703
Blocpdb> 25 atoms in block 27
Block first atom: 737
Blocpdb> 44 atoms in block 28
Block first atom: 762
Blocpdb> 44 atoms in block 29
Block first atom: 806
Blocpdb> 26 atoms in block 30
Block first atom: 850
Blocpdb> 24 atoms in block 31
Block first atom: 876
Blocpdb> 22 atoms in block 32
Block first atom: 900
Blocpdb> 34 atoms in block 33
Block first atom: 922
Blocpdb> 21 atoms in block 34
Block first atom: 956
Blocpdb> 39 atoms in block 35
Block first atom: 977
Blocpdb> 34 atoms in block 36
Block first atom: 1016
Blocpdb> 29 atoms in block 37
Block first atom: 1050
Blocpdb> 38 atoms in block 38
Block first atom: 1079
Blocpdb> 33 atoms in block 39
Block first atom: 1117
Blocpdb> 30 atoms in block 40
Block first atom: 1150
Blocpdb> 34 atoms in block 41
Block first atom: 1180
Blocpdb> 28 atoms in block 42
Block first atom: 1214
Blocpdb> 35 atoms in block 43
Block first atom: 1242
Blocpdb> 19 atoms in block 44
Block first atom: 1277
Blocpdb> 38 atoms in block 45
Block first atom: 1296
Blocpdb> 30 atoms in block 46
Block first atom: 1334
Blocpdb> 30 atoms in block 47
Block first atom: 1364
Blocpdb> 28 atoms in block 48
Block first atom: 1394
Blocpdb> 31 atoms in block 49
Block first atom: 1422
Blocpdb> 36 atoms in block 50
Block first atom: 1453
Blocpdb> 33 atoms in block 51
Block first atom: 1489
Blocpdb> 41 atoms in block 52
Block first atom: 1522
Blocpdb> 29 atoms in block 53
Block first atom: 1563
Blocpdb> 22 atoms in block 54
Block first atom: 1592
Blocpdb> 38 atoms in block 55
Block first atom: 1614
Blocpdb> 33 atoms in block 56
Block first atom: 1652
Blocpdb> 35 atoms in block 57
Block first atom: 1685
Blocpdb> 37 atoms in block 58
Block first atom: 1720
Blocpdb> 32 atoms in block 59
Block first atom: 1757
Blocpdb> 29 atoms in block 60
Block first atom: 1789
Blocpdb> 30 atoms in block 61
Block first atom: 1818
Blocpdb> 29 atoms in block 62
Block first atom: 1848
Blocpdb> 44 atoms in block 63
Block first atom: 1877
Blocpdb> 44 atoms in block 64
Block first atom: 1921
Blocpdb> 34 atoms in block 65
Block first atom: 1965
Blocpdb> 33 atoms in block 66
Block first atom: 1999
Blocpdb> 26 atoms in block 67
Block first atom: 2032
Blocpdb> 25 atoms in block 68
Block first atom: 2058
Blocpdb> 40 atoms in block 69
Block first atom: 2083
Blocpdb> 31 atoms in block 70
Block first atom: 2123
Blocpdb> 41 atoms in block 71
Block first atom: 2154
Blocpdb> 38 atoms in block 72
Block first atom: 2195
Blocpdb> 22 atoms in block 73
Block first atom: 2233
Blocpdb> 32 atoms in block 74
Block first atom: 2255
Blocpdb> 33 atoms in block 75
Block first atom: 2287
Blocpdb> 30 atoms in block 76
Block first atom: 2320
Blocpdb> 23 atoms in block 77
Block first atom: 2350
Blocpdb> 36 atoms in block 78
Block first atom: 2373
Blocpdb> 29 atoms in block 79
Block first atom: 2409
Blocpdb> 22 atoms in block 80
Block first atom: 2438
Blocpdb> 28 atoms in block 81
Block first atom: 2460
Blocpdb> 27 atoms in block 82
Block first atom: 2488
Blocpdb> 43 atoms in block 83
Block first atom: 2515
Blocpdb> 26 atoms in block 84
Block first atom: 2558
Blocpdb> 28 atoms in block 85
Block first atom: 2584
Blocpdb> 42 atoms in block 86
Block first atom: 2612
Blocpdb> 21 atoms in block 87
Block first atom: 2654
Blocpdb> 28 atoms in block 88
Block first atom: 2675
Blocpdb> 37 atoms in block 89
Block first atom: 2703
Blocpdb> 44 atoms in block 90
Block first atom: 2740
Blocpdb> 26 atoms in block 91
Block first atom: 2784
Blocpdb> 18 atoms in block 92
Block first atom: 2810
Blocpdb> 29 atoms in block 93
Block first atom: 2828
Blocpdb> 29 atoms in block 94
Block first atom: 2857
Blocpdb> 32 atoms in block 95
Block first atom: 2886
Blocpdb> 31 atoms in block 96
Block first atom: 2918
Blocpdb> 28 atoms in block 97
Block first atom: 2949
Blocpdb> 35 atoms in block 98
Block first atom: 2977
Blocpdb> 27 atoms in block 99
Block first atom: 3012
Blocpdb> 18 atoms in block 100
Block first atom: 3039
Blocpdb> 37 atoms in block 101
Block first atom: 3057
Blocpdb> 18 atoms in block 102
Block first atom: 3094
Blocpdb> 43 atoms in block 103
Block first atom: 3112
Blocpdb> 27 atoms in block 104
Block first atom: 3155
Blocpdb> 21 atoms in block 105
Block first atom: 3182
Blocpdb> 33 atoms in block 106
Block first atom: 3203
Blocpdb> 39 atoms in block 107
Block first atom: 3236
Blocpdb> 33 atoms in block 108
Block first atom: 3275
Blocpdb> 14 atoms in block 109
Block first atom: 3308
Blocpdb> 23 atoms in block 110
Block first atom: 3322
Blocpdb> 24 atoms in block 111
Block first atom: 3345
Blocpdb> 35 atoms in block 112
Block first atom: 3369
Blocpdb> 41 atoms in block 113
Block first atom: 3404
Blocpdb> 23 atoms in block 114
Block first atom: 3445
Blocpdb> 28 atoms in block 115
Block first atom: 3468
Blocpdb> 31 atoms in block 116
Block first atom: 3496
Blocpdb> 34 atoms in block 117
Block first atom: 3527
Blocpdb> 39 atoms in block 118
Block first atom: 3561
Blocpdb> 35 atoms in block 119
Block first atom: 3600
Blocpdb> 40 atoms in block 120
Block first atom: 3635
Blocpdb> 25 atoms in block 121
Block first atom: 3675
Blocpdb> 28 atoms in block 122
Block first atom: 3700
Blocpdb> 18 atoms in block 123
Block first atom: 3728
Blocpdb> 36 atoms in block 124
Block first atom: 3746
Blocpdb> 17 atoms in block 125
Block first atom: 3782
Blocpdb> 38 atoms in block 126
Block first atom: 3799
Blocpdb> 26 atoms in block 127
Block first atom: 3837
Blocpdb> 33 atoms in block 128
Block first atom: 3863
Blocpdb> 14 atoms in block 129
Block first atom: 3896
Blocpdb> 32 atoms in block 130
Block first atom: 3910
Blocpdb> 30 atoms in block 131
Block first atom: 3941
Blocpdb> 131 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 14 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> 2477400 matrix lines read.
Prepmat> Matrix order = 11913
Prepmat> Matrix trace = 5461220.0000
Prepmat> Last element read: 11913 11913 184.2530
Prepmat> 8647 lines saved.
Prepmat> 7230 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: 3971
RTB> Total mass = 3971.0000
RTB> Number of atoms found in matrix: 3971
RTB> Number of blocks = 131
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 295576.6843
RTB> 49011 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 = 786
Diagstd> Nb of non-zero elements: 49011
Diagstd> Projected matrix trace = 295576.6843
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 786 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 295576.6843
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 2.3703993 2.8484694 3.6019654 4.2941906
5.7440796 6.0080109 7.4004850 8.9992126 9.3106930
10.9452586 11.8429030 13.1896984 13.9010634 15.5889369
17.1046935 18.0288152 18.3008959 20.4628119 20.8842630
22.1991703 22.3388144 24.4703749 24.8386592 25.1550379
28.3258719 30.4499260 32.1307969 32.8051668 34.0544807
35.6281016 37.2261885 38.8584011 39.8291255 40.5799304
43.5095321 44.6821656 45.6832621 47.2931968 48.3523583
49.5967478 52.0586894 53.6451185 54.4414087 55.9549765
56.6578264 57.4402575 58.3209246 60.2041807 62.0569404
62.7399340 64.5495297 65.4056028 66.5966254 67.5088091
69.1627466 71.0520975 71.3742871 73.8991605 74.6456348
76.4763061 77.1851107 78.2170718 79.6392933 80.0736451
82.2368313 82.7757630 84.2374012 85.5328143 87.2851979
87.6116107 88.7120642 91.0903148 91.4123881 91.9230148
93.9830009 94.5836222 96.9584021 97.7509289 98.2301315
100.1575266 100.7341923 102.0856310 104.2831498 104.9346431
106.1248416 108.4345135 110.1880782 111.3521958 112.7962161
113.8058689 114.6798748 115.4699775 116.6563577 117.3011690
118.6300205 119.4321105 120.0963760 121.7854157 123.5133226
124.7383605
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034325 0.0034344 0.0034348 0.0034362
0.0034371 167.1883580 183.2740845 206.0938571 225.0276786
260.2588483 266.1709379 295.4101217 325.7598346 331.3494727
359.2595265 373.7010915 394.3780298 404.8734441 428.7494041
449.1102103 461.0827496 464.5489213 491.2221441 496.2549567
511.6390123 513.2457242 537.1747519 541.2019524 544.6377854
577.9455493 599.2228986 615.5396434 621.9656579 633.6981094
648.1740222 662.5513849 676.9206202 685.3235654 691.7528055
716.2876889 725.8759161 733.9624371 746.7833316 755.0993750
764.7542160 783.5052224 795.3538444 801.2350835 812.2966067
817.3823111 823.0068867 829.2920089 842.5750708 855.4417855
860.1363644 872.4525604 878.2188541 886.1788725 892.2272920
903.0907545 915.3427199 917.4157086 933.5015268 938.2044490
949.6394150 954.0300316 960.3865226 969.0785460 971.7176241
984.7556113 987.9770960 996.6616791 1004.2958340 1014.5316050
1016.4268121 1022.7903519 1036.4094919 1038.2401215 1041.1358717
1052.7371142 1056.0956439 1069.2715335 1073.6326909 1076.2610986
1086.7685848 1089.8926768 1097.1792589 1108.9254491 1112.3839786
1118.6746784 1130.7824201 1139.8890573 1145.8946005 1153.3006737
1158.4508425 1162.8906679 1166.8897390 1172.8689432 1176.1059590
1182.7489823 1186.7406910 1190.0363617 1198.3755004 1206.8469093
1212.8170567
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3971
Rtb_to_modes> Number of blocs = 131
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: 9.9895E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9914E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0018E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.370
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.848
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.602
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.294
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.744
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.008
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.400
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.999
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 9.311
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.95
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 11.84
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 13.19
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.90
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 15.59
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 17.10
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 18.03
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 18.30
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 20.46
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 20.88
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 22.20
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 22.34
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 24.47
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 24.84
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 25.16
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 28.33
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 30.45
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 32.13
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 32.81
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 34.05
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 35.63
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 37.23
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 38.86
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 39.83
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 40.58
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 43.51
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 44.68
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 45.68
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 47.29
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 48.35
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 49.60
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 52.06
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 53.65
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 54.44
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 55.95
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 56.66
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 57.44
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 58.32
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 60.20
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 62.06
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 62.74
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 64.55
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 65.41
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 66.60
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 67.51
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 69.16
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 71.05
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 71.37
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 73.90
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 74.65
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 76.48
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 77.19
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 78.22
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 79.64
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 80.07
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 82.24
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 82.78
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 84.24
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 85.53
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 87.29
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 87.61
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 88.71
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 91.09
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 91.41
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 91.92
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 93.98
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 94.58
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 96.96
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 97.75
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 98.23
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 100.2
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 100.7
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 102.1
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 104.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 104.9
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 106.1
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 108.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 110.2
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 111.4
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 112.8
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 113.8
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 114.7
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 115.5
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 116.7
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 117.3
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 118.6
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 119.4
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 120.1
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 121.8
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 123.5
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 124.7
Rtb_to_modes> 106 vectors, with 786 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00001 1.00000
1.00001 1.00000 1.00002 1.00002 0.99999
0.99998 1.00004 0.99999 1.00003 0.99998
1.00002 1.00001 0.99999 0.99999 0.99999
0.99994 1.00002 1.00001 1.00000 1.00000
1.00002 1.00001 0.99999 1.00002 0.99997
1.00001 0.99999 0.99998 0.99997 0.99997
1.00001 0.99999 1.00001 1.00001 0.99998
1.00000 1.00001 1.00000 0.99998 1.00003
0.99996 0.99999 0.99998 1.00001 0.99999
1.00005 1.00002 0.99999 1.00000 1.00002
1.00001 1.00000 1.00003 0.99997 1.00001
1.00000 0.99999 0.99999 1.00002 1.00000
0.99998 0.99999 0.99999 1.00000 1.00001
0.99999 1.00001 1.00001 1.00000 1.00000
1.00000 1.00003 0.99999 0.99999 0.99999
0.99998 1.00000 1.00000 1.00000 1.00001
1.00000 0.99998 1.00001 0.99999 1.00002
1.00000 1.00002 0.99998 1.00002 0.99998
1.00002 1.00001 1.00000 1.00001 1.00001
0.99999 1.00000 1.00001 0.99998 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 71478 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00001 1.00000
1.00001 1.00000 1.00002 1.00002 0.99999
0.99998 1.00004 0.99999 1.00003 0.99998
1.00002 1.00001 0.99999 0.99999 0.99999
0.99994 1.00002 1.00001 1.00000 1.00000
1.00002 1.00001 0.99999 1.00002 0.99997
1.00001 0.99999 0.99998 0.99997 0.99997
1.00001 0.99999 1.00001 1.00001 0.99998
1.00000 1.00001 1.00000 0.99998 1.00003
0.99996 0.99999 0.99998 1.00001 0.99999
1.00005 1.00002 0.99999 1.00000 1.00002
1.00001 1.00000 1.00003 0.99997 1.00001
1.00000 0.99999 0.99999 1.00002 1.00000
0.99998 0.99999 0.99999 1.00000 1.00001
0.99999 1.00001 1.00001 1.00000 1.00000
1.00000 1.00003 0.99999 0.99999 0.99999
0.99998 1.00000 1.00000 1.00000 1.00001
1.00000 0.99998 1.00001 0.99999 1.00002
1.00000 1.00002 0.99998 1.00002 0.99998
1.00002 1.00001 1.00000 1.00001 1.00001
0.99999 1.00000 1.00001 0.99998 1.00001
1.00001
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> 2403121403332929802.eigenfacs
Openam> file on opening on unit 10:
2403121403332929802.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403121403332929802.atom
Openam> file on opening on unit 11:
2403121403332929802.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 = 261
First residue number = 1
Last residue number = 42
Number of atoms found = 3971
Mean number per residue = 15.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9895E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9914E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0018E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.370
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.848
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.744
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.400
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.999
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 9.311
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 11.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 13.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 15.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 17.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 18.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 18.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 20.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 22.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 22.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 24.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 24.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 25.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 28.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 30.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 32.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 32.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 34.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 35.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 37.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 38.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 39.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 40.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 43.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 44.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 45.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 47.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 48.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 49.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 52.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 53.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 54.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 55.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 56.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 57.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 58.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 60.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 62.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 62.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 64.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 65.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 66.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 67.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 69.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 71.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 71.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 73.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 74.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 76.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 77.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 78.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 79.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 80.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 82.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 82.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 84.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 85.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 87.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 87.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 88.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 91.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 91.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 91.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 93.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 94.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 96.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 97.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 98.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 100.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 100.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 102.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 104.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 104.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 106.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 108.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 110.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 111.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 112.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 113.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 114.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 115.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 116.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 117.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 118.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 119.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 120.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 121.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 123.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 124.7
Bfactors> 106 vectors, 11913 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 2.370000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.012 +/- 0.02
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.012
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403121403332929802 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=0
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=100
2403121403332929802.eigenfacs
2403121403332929802.atom
making animated gifs
11 models are in 2403121403332929802.7.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 2403121403332929802.7.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 2403121403332929802.7.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 2403121403332929802 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=0
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=100
2403121403332929802.eigenfacs
2403121403332929802.atom
making animated gifs
11 models are in 2403121403332929802.8.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 2403121403332929802.8.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 2403121403332929802.8.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 2403121403332929802 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=0
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=100
2403121403332929802.eigenfacs
2403121403332929802.atom
making animated gifs
11 models are in 2403121403332929802.9.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 2403121403332929802.9.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 2403121403332929802.9.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 2403121403332929802 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=0
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=100
2403121403332929802.eigenfacs
2403121403332929802.atom
making animated gifs
11 models are in 2403121403332929802.10.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 2403121403332929802.10.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 2403121403332929802.10.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 2403121403332929802 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=-20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=0
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=20
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=40
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=60
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=80
2403121403332929802.eigenfacs
2403121403332929802.atom
calculating perturbed structure for DQ=100
2403121403332929802.eigenfacs
2403121403332929802.atom
making animated gifs
11 models are in 2403121403332929802.11.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 2403121403332929802.11.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 2403121403332929802.11.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
2403121403332929802.10.pdb
2403121403332929802.11.pdb
2403121403332929802.7.pdb
2403121403332929802.8.pdb
2403121403332929802.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m12.956s
user 0m12.880s
sys 0m0.076s
../../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: 2403121403332929802.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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