*** sec_ITASSER ***
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 = 2608110018324115042.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 2608110018324115042.atom to be opened.
Openam> File opened: 2608110018324115042.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 = 612
First residue number = 1
Last residue number = 612
Number of atoms found = 9634
Mean number per residue = 15.7
Pdbmat> Coordinate statistics:
= 23.521329 +/- 11.905923 From: -4.304000 To: 57.378000
= 11.797310 +/- 15.841094 From: -27.544000 To: 51.960000
= 44.533692 +/- 17.931269 From: 8.735000 To: 97.761000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> 3 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.6491 % Filled.
Pdbmat> 6888076 non-zero elements.
Pdbmat> 759048 atom-atom interactions.
Pdbmat> Number per atom= 157.58 +/- 53.37
Maximum number = 299
Minimum number = 17
Pdbmat> Matrix trace = 1.518096E+07
Pdbmat> Larger element = 1129.69
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
612 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 = 2608110018324115042.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 2608110018324115042.atom to be opened.
Openam> file on opening on unit 11:
2608110018324115042.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9634 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> 612 residues.
Blocpdb> 56 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 57
Blocpdb> 56 atoms in block 3
Block first atom: 112
Blocpdb> 75 atoms in block 4
Block first atom: 168
Blocpdb> 72 atoms in block 5
Block first atom: 243
Blocpdb> 64 atoms in block 6
Block first atom: 315
Blocpdb> 71 atoms in block 7
Block first atom: 379
Blocpdb> 68 atoms in block 8
Block first atom: 450
Blocpdb> 56 atoms in block 9
Block first atom: 518
Blocpdb> 55 atoms in block 10
Block first atom: 574
Blocpdb> 62 atoms in block 11
Block first atom: 629
Blocpdb> 58 atoms in block 12
Block first atom: 691
Blocpdb> 47 atoms in block 13
Block first atom: 749
Blocpdb> 65 atoms in block 14
Block first atom: 796
Blocpdb> 61 atoms in block 15
Block first atom: 861
Blocpdb> 43 atoms in block 16
Block first atom: 922
Blocpdb> 62 atoms in block 17
Block first atom: 965
Blocpdb> 68 atoms in block 18
Block first atom: 1027
Blocpdb> 61 atoms in block 19
Block first atom: 1095
Blocpdb> 67 atoms in block 20
Block first atom: 1156
Blocpdb> 65 atoms in block 21
Block first atom: 1223
Blocpdb> 66 atoms in block 22
Block first atom: 1288
Blocpdb> 59 atoms in block 23
Block first atom: 1354
Blocpdb> 62 atoms in block 24
Block first atom: 1413
Blocpdb> 70 atoms in block 25
Block first atom: 1475
Blocpdb> 48 atoms in block 26
Block first atom: 1545
Blocpdb> 80 atoms in block 27
Block first atom: 1593
Blocpdb> 60 atoms in block 28
Block first atom: 1673
Blocpdb> 75 atoms in block 29
Block first atom: 1733
Blocpdb> 57 atoms in block 30
Block first atom: 1808
Blocpdb> 53 atoms in block 31
Block first atom: 1865
Blocpdb> 73 atoms in block 32
Block first atom: 1918
Blocpdb> 60 atoms in block 33
Block first atom: 1991
Blocpdb> 66 atoms in block 34
Block first atom: 2051
Blocpdb> 60 atoms in block 35
Block first atom: 2117
Blocpdb> 65 atoms in block 36
Block first atom: 2177
Blocpdb> 57 atoms in block 37
Block first atom: 2242
Blocpdb> 76 atoms in block 38
Block first atom: 2299
Blocpdb> 48 atoms in block 39
Block first atom: 2375
Blocpdb> 55 atoms in block 40
Block first atom: 2423
Blocpdb> 70 atoms in block 41
Block first atom: 2478
Blocpdb> 69 atoms in block 42
Block first atom: 2548
Blocpdb> 72 atoms in block 43
Block first atom: 2617
Blocpdb> 58 atoms in block 44
Block first atom: 2689
Blocpdb> 47 atoms in block 45
Block first atom: 2747
Blocpdb> 68 atoms in block 46
Block first atom: 2794
Blocpdb> 62 atoms in block 47
Block first atom: 2862
Blocpdb> 64 atoms in block 48
Block first atom: 2924
Blocpdb> 55 atoms in block 49
Block first atom: 2988
Blocpdb> 58 atoms in block 50
Block first atom: 3043
Blocpdb> 67 atoms in block 51
Block first atom: 3101
Blocpdb> 52 atoms in block 52
Block first atom: 3168
Blocpdb> 53 atoms in block 53
Block first atom: 3220
Blocpdb> 63 atoms in block 54
Block first atom: 3273
Blocpdb> 68 atoms in block 55
Block first atom: 3336
Blocpdb> 69 atoms in block 56
Block first atom: 3404
Blocpdb> 76 atoms in block 57
Block first atom: 3473
Blocpdb> 79 atoms in block 58
Block first atom: 3549
Blocpdb> 78 atoms in block 59
Block first atom: 3628
Blocpdb> 69 atoms in block 60
Block first atom: 3706
Blocpdb> 81 atoms in block 61
Block first atom: 3775
Blocpdb> 45 atoms in block 62
Block first atom: 3856
Blocpdb> 79 atoms in block 63
Block first atom: 3901
Blocpdb> 45 atoms in block 64
Block first atom: 3980
Blocpdb> 73 atoms in block 65
Block first atom: 4025
Blocpdb> 69 atoms in block 66
Block first atom: 4098
Blocpdb> 52 atoms in block 67
Block first atom: 4167
Blocpdb> 67 atoms in block 68
Block first atom: 4219
Blocpdb> 53 atoms in block 69
Block first atom: 4286
Blocpdb> 60 atoms in block 70
Block first atom: 4339
Blocpdb> 65 atoms in block 71
Block first atom: 4399
Blocpdb> 72 atoms in block 72
Block first atom: 4464
Blocpdb> 57 atoms in block 73
Block first atom: 4536
Blocpdb> 57 atoms in block 74
Block first atom: 4593
Blocpdb> 83 atoms in block 75
Block first atom: 4650
Blocpdb> 44 atoms in block 76
Block first atom: 4733
Blocpdb> 75 atoms in block 77
Block first atom: 4777
Blocpdb> 67 atoms in block 78
Block first atom: 4852
Blocpdb> 65 atoms in block 79
Block first atom: 4919
Blocpdb> 74 atoms in block 80
Block first atom: 4984
Blocpdb> 66 atoms in block 81
Block first atom: 5058
Blocpdb> 67 atoms in block 82
Block first atom: 5124
Blocpdb> 65 atoms in block 83
Block first atom: 5191
Blocpdb> 62 atoms in block 84
Block first atom: 5256
Blocpdb> 65 atoms in block 85
Block first atom: 5318
Blocpdb> 57 atoms in block 86
Block first atom: 5383
Blocpdb> 67 atoms in block 87
Block first atom: 5440
Blocpdb> 53 atoms in block 88
Block first atom: 5507
Blocpdb> 78 atoms in block 89
Block first atom: 5560
Blocpdb> 64 atoms in block 90
Block first atom: 5638
Blocpdb> 64 atoms in block 91
Block first atom: 5702
Blocpdb> 52 atoms in block 92
Block first atom: 5766
Blocpdb> 70 atoms in block 93
Block first atom: 5818
Blocpdb> 59 atoms in block 94
Block first atom: 5888
Blocpdb> 64 atoms in block 95
Block first atom: 5947
Blocpdb> 78 atoms in block 96
Block first atom: 6011
Blocpdb> 48 atoms in block 97
Block first atom: 6089
Blocpdb> 60 atoms in block 98
Block first atom: 6137
Blocpdb> 52 atoms in block 99
Block first atom: 6197
Blocpdb> 73 atoms in block 100
Block first atom: 6249
Blocpdb> 63 atoms in block 101
Block first atom: 6322
Blocpdb> 57 atoms in block 102
Block first atom: 6385
Blocpdb> 64 atoms in block 103
Block first atom: 6442
Blocpdb> 65 atoms in block 104
Block first atom: 6506
Blocpdb> 63 atoms in block 105
Block first atom: 6571
Blocpdb> 68 atoms in block 106
Block first atom: 6634
Blocpdb> 67 atoms in block 107
Block first atom: 6702
Blocpdb> 84 atoms in block 108
Block first atom: 6769
Blocpdb> 23 atoms in block 109
Block first atom: 6853
Blocpdb> 68 atoms in block 110
Block first atom: 6876
Blocpdb> 54 atoms in block 111
Block first atom: 6944
Blocpdb> 74 atoms in block 112
Block first atom: 6998
Blocpdb> 58 atoms in block 113
Block first atom: 7072
Blocpdb> 64 atoms in block 114
Block first atom: 7130
Blocpdb> 63 atoms in block 115
Block first atom: 7194
Blocpdb> 69 atoms in block 116
Block first atom: 7257
Blocpdb> 64 atoms in block 117
Block first atom: 7326
Blocpdb> 74 atoms in block 118
Block first atom: 7390
Blocpdb> 73 atoms in block 119
Block first atom: 7464
Blocpdb> 62 atoms in block 120
Block first atom: 7537
Blocpdb> 60 atoms in block 121
Block first atom: 7599
Blocpdb> 58 atoms in block 122
Block first atom: 7659
Blocpdb> 68 atoms in block 123
Block first atom: 7717
Blocpdb> 78 atoms in block 124
Block first atom: 7785
Blocpdb> 70 atoms in block 125
Block first atom: 7863
Blocpdb> 60 atoms in block 126
Block first atom: 7933
Blocpdb> 21 atoms in block 127
Block first atom: 7993
Blocpdb> 66 atoms in block 128
Block first atom: 8014
Blocpdb> 58 atoms in block 129
Block first atom: 8080
Blocpdb> 63 atoms in block 130
Block first atom: 8138
Blocpdb> 63 atoms in block 131
Block first atom: 8201
Blocpdb> 68 atoms in block 132
Block first atom: 8264
Blocpdb> 73 atoms in block 133
Block first atom: 8332
Blocpdb> 71 atoms in block 134
Block first atom: 8405
Blocpdb> 51 atoms in block 135
Block first atom: 8476
Blocpdb> 52 atoms in block 136
Block first atom: 8527
Blocpdb> 41 atoms in block 137
Block first atom: 8579
Blocpdb> 56 atoms in block 138
Block first atom: 8620
Blocpdb> 54 atoms in block 139
Block first atom: 8676
Blocpdb> 60 atoms in block 140
Block first atom: 8730
Blocpdb> 44 atoms in block 141
Block first atom: 8790
Blocpdb> 71 atoms in block 142
Block first atom: 8834
Blocpdb> 59 atoms in block 143
Block first atom: 8905
Blocpdb> 46 atoms in block 144
Block first atom: 8964
Blocpdb> 69 atoms in block 145
Block first atom: 9010
Blocpdb> 71 atoms in block 146
Block first atom: 9079
Blocpdb> 51 atoms in block 147
Block first atom: 9150
Blocpdb> 74 atoms in block 148
Block first atom: 9201
Blocpdb> 66 atoms in block 149
Block first atom: 9275
Blocpdb> 65 atoms in block 150
Block first atom: 9341
Blocpdb> 55 atoms in block 151
Block first atom: 9406
Blocpdb> 50 atoms in block 152
Block first atom: 9461
Blocpdb> 43 atoms in block 153
Block first atom: 9511
Blocpdb> 65 atoms in block 154
Block first atom: 9554
Blocpdb> 16 atoms in block 155
Block first atom: 9618
Blocpdb> 155 blocks.
Blocpdb> At most, 84 atoms in each of them.
Blocpdb> At least, 16 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> 6888231 matrix lines read.
Prepmat> Matrix order = 28902
Prepmat> Matrix trace = 15180960.0000
Prepmat> Last element read: 28902 28902 94.8176
Prepmat> 12091 lines saved.
Prepmat> 10556 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: 9634
RTB> Total mass = 9634.0000
RTB> Number of atoms found in matrix: 9634
RTB> Number of blocks = 155
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 353508.3979
RTB> 52899 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 = 930
Diagstd> Nb of non-zero elements: 52899
Diagstd> Projected matrix trace = 353508.3979
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 930 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 353508.3979
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 0.3533529 0.4323007 0.9818819 1.3491280
1.9197246 2.0165104 3.0384603 3.6617087 4.0283697
4.8331083 4.9779900 5.4440736 6.7416106 7.3054088
8.0104321 8.5128104 9.3317049 9.8238484 10.0730394
11.6711073 12.9110151 13.4917437 14.3191706 14.6596871
15.6316610 16.0805360 16.5849768 17.6725763 18.6517124
19.0626852 20.5866870 21.1238249 21.7136010 22.2042579
22.4663333 24.7035813 25.4871377 25.9714101 26.2414912
26.4831094 27.8712054 28.5880906 29.9088742 30.4762101
31.1499902 32.1648872 32.3738290 33.6057133 34.3467934
35.3276315 36.3515824 37.2812576 37.8545148 38.8040716
40.1872320 41.9006418 42.8010584 43.2470629 43.8497714
45.3106804 46.8342314 47.7889735 48.6521688 50.1712385
50.9464409 51.3849309 52.7860865 53.4590455 54.3025109
55.2644978 55.8949771 57.4246817 58.0937764 60.3375432
61.2928257 62.4341872 64.0276261 64.9255298 65.0547273
66.5244053 67.1575537 68.2903313 69.0355803 69.4024763
71.7125402 72.7994770 74.0012540 74.7485484 75.5951829
76.6772594 76.9258637 77.6109632 78.6613413 79.3387177
80.0210537 81.2450885 82.5308034 83.0262392 84.5729711
86.2190258
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034328 0.0034338 0.0034347 0.0034350 0.0034351
0.0034369 64.5505004 71.3983657 107.6031313 126.1310059
150.4578139 154.2039559 189.2875562 207.7959968 217.9515382
238.7308486 242.2826356 253.3712147 281.9532555 293.5063781
307.3429483 316.8339858 331.7231488 340.3581118 344.6478288
370.9806956 390.1894074 398.8681158 410.9170983 415.7742902
429.3365319 435.4572654 442.2345954 456.5046573 468.9803376
474.1189551 492.7067490 499.0930930 506.0124549 511.6976372
514.7085460 539.7283608 548.2211836 553.4049572 556.2749909
558.8300711 573.2884028 580.6144701 593.8753690 599.4814647
606.0720233 615.8660960 617.8631789 629.5088487 636.4120277
645.4350431 654.7220098 663.0412634 668.1194613 676.4472393
688.3975676 702.9195424 710.4320315 714.1239344 719.0828765
730.9632997 743.1508505 750.6874080 757.4367673 769.1706269
775.0901273 778.4185354 788.9600499 793.9732676 800.2123245
807.2692209 811.8609855 822.8952938 827.6754714 843.5077785
850.1588926 858.0379790 868.9183728 874.9898825 875.8600361
885.6982381 889.9030889 897.3769087 902.2601369 904.6545325
919.5870218 926.5298379 934.1461323 938.8509757 944.1529215
950.8862583 952.4265006 956.6582409 963.1101373 967.2480633
971.3984656 978.7997241 986.5141451 989.4707571 998.6448676
1008.3164116
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9634
Rtb_to_modes> Number of blocs = 155
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: 9.9932E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0017E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.3534
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.4323
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.9819
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.349
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.920
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 2.017
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.038
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.662
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.028
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 4.833
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 4.978
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.444
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.742
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.305
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 8.010
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.513
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 9.332
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 9.824
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 10.07
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 11.67
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 12.91
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 13.49
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 14.32
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 14.66
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 15.63
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 16.08
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 16.58
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 17.67
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 18.65
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 19.06
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 20.59
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 21.12
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 21.71
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 22.20
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 22.47
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 24.70
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 25.49
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 25.97
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 26.24
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 26.48
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 27.87
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 28.59
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 29.91
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 30.48
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 31.15
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 32.16
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 32.37
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 33.61
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 34.35
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 35.33
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 36.35
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 37.28
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 37.85
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 38.80
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 40.19
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 41.90
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 42.80
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 43.25
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 43.85
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 45.31
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 46.83
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 47.79
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 48.65
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 50.17
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 50.95
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 51.38
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 52.79
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 53.46
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 54.30
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 55.26
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 55.89
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 57.42
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 58.09
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 60.34
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 61.29
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 62.43
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 64.03
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 64.93
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 65.05
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 66.52
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 67.16
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 68.29
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 69.04
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 69.40
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 71.71
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 72.80
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 74.00
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 74.75
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 75.60
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 76.68
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 76.93
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 77.61
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 78.66
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 79.34
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 80.02
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 81.25
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 82.53
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 83.03
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 84.57
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 86.22
Rtb_to_modes> 106 vectors, with 930 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99998 1.00000 1.00000 0.99998
1.00000 0.99999 0.99994 1.00003 1.00000
1.00001 0.99997 0.99999 1.00003 0.99998
0.99998 0.99998 1.00000 0.99998 1.00002
1.00000 1.00001 1.00005 0.99999 1.00002
1.00003 0.99999 0.99998 0.99998 1.00004
1.00000 0.99999 1.00000 0.99996 1.00000
1.00002 1.00004 1.00002 1.00001 1.00002
0.99998 1.00000 1.00000 0.99995 0.99999
0.99999 1.00002 0.99998 1.00002 0.99998
1.00002 0.99999 1.00000 1.00001 1.00000
0.99999 1.00000 1.00003 1.00000 0.99999
1.00002 1.00001 0.99999 1.00002 0.99998
1.00003 0.99999 1.00002 1.00000 1.00000
1.00002 1.00000 1.00000 1.00002 0.99999
1.00001 1.00001 1.00001 0.99998 1.00001
1.00001 1.00000 1.00000 1.00000 1.00000
0.99997 1.00000 1.00000 1.00001 1.00003
1.00001 0.99999 1.00001 0.99997 1.00003
0.99999 0.99997 1.00000 1.00000 0.99998
0.99998 1.00000 1.00000 1.00001 1.00002
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 173412 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99998 1.00000 1.00000 0.99998
1.00000 0.99999 0.99994 1.00003 1.00000
1.00001 0.99997 0.99999 1.00003 0.99998
0.99998 0.99998 1.00000 0.99998 1.00002
1.00000 1.00001 1.00005 0.99999 1.00002
1.00003 0.99999 0.99998 0.99998 1.00004
1.00000 0.99999 1.00000 0.99996 1.00000
1.00002 1.00004 1.00002 1.00001 1.00002
0.99998 1.00000 1.00000 0.99995 0.99999
0.99999 1.00002 0.99998 1.00002 0.99998
1.00002 0.99999 1.00000 1.00001 1.00000
0.99999 1.00000 1.00003 1.00000 0.99999
1.00002 1.00001 0.99999 1.00002 0.99998
1.00003 0.99999 1.00002 1.00000 1.00000
1.00002 1.00000 1.00000 1.00002 0.99999
1.00001 1.00001 1.00001 0.99998 1.00001
1.00001 1.00000 1.00000 1.00000 1.00000
0.99997 1.00000 1.00000 1.00001 1.00003
1.00001 0.99999 1.00001 0.99997 1.00003
0.99999 0.99997 1.00000 1.00000 0.99998
0.99998 1.00000 1.00000 1.00001 1.00002
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> 2608110018324115042.eigenfacs
Openam> file on opening on unit 10:
2608110018324115042.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2608110018324115042.atom
Openam> file on opening on unit 11:
2608110018324115042.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 = 612
First residue number = 1
Last residue number = 612
Number of atoms found = 9634
Mean number per residue = 15.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9932E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0017E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3534
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4323
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9819
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.349
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 2.017
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 4.833
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 4.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.444
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 8.010
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 9.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 9.824
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 10.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 11.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 12.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 13.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 14.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 14.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 15.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 16.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 16.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 17.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 18.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 19.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 20.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 21.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 21.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 22.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 22.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 24.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 25.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 25.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 26.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 26.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 27.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 28.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 29.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 30.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 31.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 32.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 32.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 33.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 34.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 35.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 36.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 37.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 37.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 38.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 40.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 41.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 42.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 43.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 43.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 45.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 46.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 47.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 48.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 50.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 50.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 51.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 52.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 53.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 54.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 55.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 55.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 57.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 58.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 60.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 61.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 62.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 64.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 64.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 65.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 66.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 67.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 68.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 69.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 69.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 71.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 72.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 74.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 74.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 75.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 76.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 76.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 77.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 78.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 79.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 80.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 81.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 82.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 83.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 84.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 86.22
Bfactors> 106 vectors, 28902 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 : 0.353400
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= 0.527 for 612 C-alpha atoms.
Bfactors> = 0.016 +/- 0.05
Bfactors> = 2.900 +/- 2.55
Bfactors> Shiftng-fct= 2.884
Bfactors> Scaling-fct= 51.575
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2608110018324115042.eigenfacs
Openam> file on opening on unit 10:
2608110018324115042.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4326E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4345E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4348E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4350E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4367E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 64.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 71.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 107.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 126.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 150.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 154.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 189.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 207.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 217.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 238.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 242.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 253.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 281.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 293.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 307.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 316.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 331.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 340.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 344.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 370.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 390.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 398.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 410.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 415.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 429.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 435.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 442.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 456.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 468.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 474.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 492.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 499.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 505.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 511.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 514.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 539.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 548.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 553.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 556.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 558.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 573.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 580.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 593.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 599.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 606.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 615.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 617.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 629.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 636.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 645.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 654.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 663.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 668.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 676.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 688.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 702.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 710.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 714.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 719.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 730.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 743.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 750.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 757.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 769.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 775.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 778.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 789.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 793.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 800.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 807.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 811.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 822.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 827.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 843.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 850.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 858.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 868.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 875.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 875.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 885.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 889.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 897.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 902.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 904.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 919.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 926.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 934.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 938.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 944.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 950.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 952.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 956.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 963.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 967.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 971.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 978.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 986.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 989.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 998.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 1008.
Chkmod> 106 vectors, 28902 coordinates in file.
Chkmod> That is: 9634 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 8 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 23 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7515
0.0034 0.8301
0.0034 0.8996
0.0034 0.9642
0.0034 0.7593
0.0034 0.9311
64.5520 0.0408
71.3952 0.0529
107.5995 0.2780
126.1196 0.1751
150.4621 0.0810
154.2161 0.0563
189.2651 0.0276
207.7953 0.2436
217.9322 0.1031
238.7179 0.1455
242.2725 0.1076
253.3586 0.3331
281.9493 0.1493
293.4856 0.2397
307.3215 0.4065
316.8239 0.2873
331.7142 0.2268
340.3461 0.2447
344.5810 0.1495
370.9472 0.2816
390.1573 0.2601
398.8252 0.3268
410.9114 0.4367
415.7609 0.2451
429.2953 0.2061
435.4313 0.2514
442.1493 0.2748
456.4518 0.2855
468.9387 0.3219
474.0652 0.3505
492.7252 0.1480
499.0265 0.0877
505.9488 0.3894
511.6266 0.3457
514.7284 0.4695
539.6661 0.3051
548.2284 0.2947
553.3662 0.2098
556.2353 0.2750
558.7733 0.3972
573.2514 0.3417
580.6089 0.3838
593.8611 0.2024
599.4930 0.4377
606.0461 0.4065
615.7929 0.2903
617.8001 0.3805
629.5220 0.2629
636.4144 0.4194
645.4290 0.3026
654.6797 0.3459
663.0016 0.4052
668.0509 0.4369
676.3827 0.4795
688.3917 0.3199
702.8840 0.3681
710.3928 0.4326
714.1175 0.3168
719.0539 0.3486
730.9264 0.3522
743.0854 0.4288
750.6632 0.2224
757.3874 0.3654
769.1281 0.4454
775.0839 0.4152
778.3478 0.3953
788.9554 0.4049
793.9463 0.1788
800.1595 0.4495
807.2017 0.4523
811.7900 0.4051
822.8264 0.3814
827.6130 0.3027
843.4887 0.4925
850.1028 0.4711
857.9724 0.3921
868.8972 0.4277
874.9824 0.4179
875.7906 0.4751
885.6309 0.4998
889.8811 0.4121
897.3362 0.3812
902.2503 0.5420
904.5996 0.3758
919.5313 0.4410
926.4934 0.4038
934.0981 0.3339
938.8198 0.4487
944.1425 0.3883
950.8624 0.3404
952.4112 0.3459
956.6112 0.5036
963.0606 0.4832
967.2144 0.3048
971.3504 0.3484
978.7873 0.3299
986.4670 0.4725
989.4507 0.3591
998.5845 0.3672
1008.2788 0.4657
getting mode 7
running: ../../bin/get_modes.sh 2608110018324115042 7 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2608110018324115042 8 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2608110018324115042 9 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2608110018324115042 10 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2608110018324115042 11 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2608110018324115042 12 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2608110018324115042 13 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2608110018324115042 14 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2608110018324115042 15 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2608110018324115042 16 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2608110018324115042 17 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2608110018324115042 18 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2608110018324115042 19 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2608110018324115042 20 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2608110018324115042 21 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2608110018324115042 22 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2608110018324115042 23 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2608110018324115042 24 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2608110018324115042 25 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2608110018324115042 26 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2608110018324115042 27 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2608110018324115042 28 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2608110018324115042 29 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2608110018324115042 30 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2608110018324115042 31 -50 50 31 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-50
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=-19
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=12
2608110018324115042.eigenfacs
2608110018324115042.atom
calculating perturbed structure for DQ=43
2608110018324115042.eigenfacs
2608110018324115042.atom
making animated gifs
4 models are in 2608110018324115042.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
4 models are in 2608110018324115042.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2608110018324115042.10.pdb
2608110018324115042.11.pdb
2608110018324115042.12.pdb
2608110018324115042.13.pdb
2608110018324115042.14.pdb
2608110018324115042.15.pdb
2608110018324115042.16.pdb
2608110018324115042.17.pdb
2608110018324115042.18.pdb
2608110018324115042.19.pdb
2608110018324115042.20.pdb
2608110018324115042.21.pdb
2608110018324115042.22.pdb
2608110018324115042.23.pdb
2608110018324115042.24.pdb
2608110018324115042.25.pdb
2608110018324115042.26.pdb
2608110018324115042.27.pdb
2608110018324115042.28.pdb
2608110018324115042.29.pdb
2608110018324115042.30.pdb
2608110018324115042.31.pdb
2608110018324115042.7.pdb
2608110018324115042.8.pdb
2608110018324115042.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m59.753s
user 0m59.131s
sys 0m0.567s
rm: cannot remove '2608110018324115042.sdijf': No such file or directory
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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