*** sec_alpha_ABC_433_cc ***
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 = 2607200054532745541.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 2607200054532745541.atom to be opened.
Openam> File opened: 2607200054532745541.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 = 609
First residue number = 1
Last residue number = 109
Number of atoms found = 9583
Mean number per residue = 15.7
Pdbmat> Coordinate statistics:
= 0.624584 +/- 13.802687 From: -30.885000 To: 43.051000
= 0.527145 +/- 13.754986 From: -44.471000 To: 38.277000
= -2.321247 +/- 20.027059 From: -63.680000 To: 42.593000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.5998 % Filled.
Pdbmat> 6611454 non-zero elements.
Pdbmat> 728334 atom-atom interactions.
Pdbmat> Number per atom= 152.01 +/- 50.08
Maximum number = 246
Minimum number = 17
Pdbmat> Matrix trace = 1.456668E+07
Pdbmat> Larger element = 886.694
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
609 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 = 2607200054532745541.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 2607200054532745541.atom to be opened.
Openam> file on opening on unit 11:
2607200054532745541.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9583 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> 609 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> 41 atoms in block 12
Block first atom: 691
Blocpdb> 47 atoms in block 13
Block first atom: 732
Blocpdb> 65 atoms in block 14
Block first atom: 779
Blocpdb> 61 atoms in block 15
Block first atom: 844
Blocpdb> 43 atoms in block 16
Block first atom: 905
Blocpdb> 62 atoms in block 17
Block first atom: 948
Blocpdb> 68 atoms in block 18
Block first atom: 1010
Blocpdb> 61 atoms in block 19
Block first atom: 1078
Blocpdb> 67 atoms in block 20
Block first atom: 1139
Blocpdb> 65 atoms in block 21
Block first atom: 1206
Blocpdb> 66 atoms in block 22
Block first atom: 1271
Blocpdb> 59 atoms in block 23
Block first atom: 1337
Blocpdb> 62 atoms in block 24
Block first atom: 1396
Blocpdb> 70 atoms in block 25
Block first atom: 1458
Blocpdb> 48 atoms in block 26
Block first atom: 1528
Blocpdb> 80 atoms in block 27
Block first atom: 1576
Blocpdb> 60 atoms in block 28
Block first atom: 1656
Blocpdb> 75 atoms in block 29
Block first atom: 1716
Blocpdb> 57 atoms in block 30
Block first atom: 1791
Blocpdb> 53 atoms in block 31
Block first atom: 1848
Blocpdb> 73 atoms in block 32
Block first atom: 1901
Blocpdb> 60 atoms in block 33
Block first atom: 1974
Blocpdb> 66 atoms in block 34
Block first atom: 2034
Blocpdb> 60 atoms in block 35
Block first atom: 2100
Blocpdb> 65 atoms in block 36
Block first atom: 2160
Blocpdb> 57 atoms in block 37
Block first atom: 2225
Blocpdb> 76 atoms in block 38
Block first atom: 2282
Blocpdb> 48 atoms in block 39
Block first atom: 2358
Blocpdb> 55 atoms in block 40
Block first atom: 2406
Blocpdb> 70 atoms in block 41
Block first atom: 2461
Blocpdb> 69 atoms in block 42
Block first atom: 2531
Blocpdb> 72 atoms in block 43
Block first atom: 2600
Blocpdb> 58 atoms in block 44
Block first atom: 2672
Blocpdb> 47 atoms in block 45
Block first atom: 2730
Blocpdb> 68 atoms in block 46
Block first atom: 2777
Blocpdb> 62 atoms in block 47
Block first atom: 2845
Blocpdb> 64 atoms in block 48
Block first atom: 2907
Blocpdb> 55 atoms in block 49
Block first atom: 2971
Blocpdb> 58 atoms in block 50
Block first atom: 3026
Blocpdb> 67 atoms in block 51
Block first atom: 3084
Blocpdb> 52 atoms in block 52
Block first atom: 3151
Blocpdb> 53 atoms in block 53
Block first atom: 3203
Blocpdb> 63 atoms in block 54
Block first atom: 3256
Blocpdb> 68 atoms in block 55
Block first atom: 3319
Blocpdb> 69 atoms in block 56
Block first atom: 3387
Blocpdb> 76 atoms in block 57
Block first atom: 3456
Blocpdb> 79 atoms in block 58
Block first atom: 3532
Blocpdb> 78 atoms in block 59
Block first atom: 3611
Blocpdb> 69 atoms in block 60
Block first atom: 3689
Blocpdb> 81 atoms in block 61
Block first atom: 3758
Blocpdb> 45 atoms in block 62
Block first atom: 3839
Blocpdb> 79 atoms in block 63
Block first atom: 3884
Blocpdb> 45 atoms in block 64
Block first atom: 3963
Blocpdb> 73 atoms in block 65
Block first atom: 4008
Blocpdb> 69 atoms in block 66
Block first atom: 4081
Blocpdb> 52 atoms in block 67
Block first atom: 4150
Blocpdb> 67 atoms in block 68
Block first atom: 4202
Blocpdb> 53 atoms in block 69
Block first atom: 4269
Blocpdb> 60 atoms in block 70
Block first atom: 4322
Blocpdb> 65 atoms in block 71
Block first atom: 4382
Blocpdb> 44 atoms in block 72
Block first atom: 4447
Blocpdb> 44 atoms in block 73
Block first atom: 4491
Blocpdb> 62 atoms in block 74
Block first atom: 4535
Blocpdb> 83 atoms in block 75
Block first atom: 4597
Blocpdb> 56 atoms in block 76
Block first atom: 4680
Blocpdb> 66 atoms in block 77
Block first atom: 4736
Blocpdb> 64 atoms in block 78
Block first atom: 4802
Blocpdb> 67 atoms in block 79
Block first atom: 4866
Blocpdb> 71 atoms in block 80
Block first atom: 4933
Blocpdb> 75 atoms in block 81
Block first atom: 5004
Blocpdb> 66 atoms in block 82
Block first atom: 5079
Blocpdb> 63 atoms in block 83
Block first atom: 5145
Blocpdb> 57 atoms in block 84
Block first atom: 5208
Blocpdb> 77 atoms in block 85
Block first atom: 5265
Blocpdb> 50 atoms in block 86
Block first atom: 5342
Blocpdb> 67 atoms in block 87
Block first atom: 5392
Blocpdb> 53 atoms in block 88
Block first atom: 5459
Blocpdb> 72 atoms in block 89
Block first atom: 5512
Blocpdb> 65 atoms in block 90
Block first atom: 5584
Blocpdb> 69 atoms in block 91
Block first atom: 5649
Blocpdb> 56 atoms in block 92
Block first atom: 5718
Blocpdb> 69 atoms in block 93
Block first atom: 5774
Blocpdb> 54 atoms in block 94
Block first atom: 5843
Blocpdb> 61 atoms in block 95
Block first atom: 5897
Blocpdb> 59 atoms in block 96
Block first atom: 5958
Blocpdb> 58 atoms in block 97
Block first atom: 6017
Blocpdb> 64 atoms in block 98
Block first atom: 6075
Blocpdb> 39 atoms in block 99
Block first atom: 6139
Blocpdb> 77 atoms in block 100
Block first atom: 6178
Blocpdb> 65 atoms in block 101
Block first atom: 6255
Blocpdb> 60 atoms in block 102
Block first atom: 6320
Blocpdb> 61 atoms in block 103
Block first atom: 6380
Blocpdb> 68 atoms in block 104
Block first atom: 6441
Blocpdb> 63 atoms in block 105
Block first atom: 6509
Blocpdb> 57 atoms in block 106
Block first atom: 6572
Blocpdb> 70 atoms in block 107
Block first atom: 6629
Blocpdb> 87 atoms in block 108
Block first atom: 6699
Blocpdb> 39 atoms in block 109
Block first atom: 6786
Blocpdb> 68 atoms in block 110
Block first atom: 6825
Blocpdb> 54 atoms in block 111
Block first atom: 6893
Blocpdb> 74 atoms in block 112
Block first atom: 6947
Blocpdb> 58 atoms in block 113
Block first atom: 7021
Blocpdb> 64 atoms in block 114
Block first atom: 7079
Blocpdb> 63 atoms in block 115
Block first atom: 7143
Blocpdb> 69 atoms in block 116
Block first atom: 7206
Blocpdb> 64 atoms in block 117
Block first atom: 7275
Blocpdb> 74 atoms in block 118
Block first atom: 7339
Blocpdb> 73 atoms in block 119
Block first atom: 7413
Blocpdb> 62 atoms in block 120
Block first atom: 7486
Blocpdb> 60 atoms in block 121
Block first atom: 7548
Blocpdb> 58 atoms in block 122
Block first atom: 7608
Blocpdb> 68 atoms in block 123
Block first atom: 7666
Blocpdb> 78 atoms in block 124
Block first atom: 7734
Blocpdb> 70 atoms in block 125
Block first atom: 7812
Blocpdb> 60 atoms in block 126
Block first atom: 7882
Blocpdb> 21 atoms in block 127
Block first atom: 7942
Blocpdb> 66 atoms in block 128
Block first atom: 7963
Blocpdb> 58 atoms in block 129
Block first atom: 8029
Blocpdb> 63 atoms in block 130
Block first atom: 8087
Blocpdb> 63 atoms in block 131
Block first atom: 8150
Blocpdb> 68 atoms in block 132
Block first atom: 8213
Blocpdb> 73 atoms in block 133
Block first atom: 8281
Blocpdb> 71 atoms in block 134
Block first atom: 8354
Blocpdb> 51 atoms in block 135
Block first atom: 8425
Blocpdb> 52 atoms in block 136
Block first atom: 8476
Blocpdb> 41 atoms in block 137
Block first atom: 8528
Blocpdb> 56 atoms in block 138
Block first atom: 8569
Blocpdb> 54 atoms in block 139
Block first atom: 8625
Blocpdb> 60 atoms in block 140
Block first atom: 8679
Blocpdb> 44 atoms in block 141
Block first atom: 8739
Blocpdb> 71 atoms in block 142
Block first atom: 8783
Blocpdb> 59 atoms in block 143
Block first atom: 8854
Blocpdb> 46 atoms in block 144
Block first atom: 8913
Blocpdb> 69 atoms in block 145
Block first atom: 8959
Blocpdb> 71 atoms in block 146
Block first atom: 9028
Blocpdb> 51 atoms in block 147
Block first atom: 9099
Blocpdb> 74 atoms in block 148
Block first atom: 9150
Blocpdb> 66 atoms in block 149
Block first atom: 9224
Blocpdb> 65 atoms in block 150
Block first atom: 9290
Blocpdb> 55 atoms in block 151
Block first atom: 9355
Blocpdb> 50 atoms in block 152
Block first atom: 9410
Blocpdb> 43 atoms in block 153
Block first atom: 9460
Blocpdb> 65 atoms in block 154
Block first atom: 9503
Blocpdb> 16 atoms in block 155
Block first atom: 9567
Blocpdb> 155 blocks.
Blocpdb> At most, 87 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> 6611609 matrix lines read.
Prepmat> Matrix order = 28749
Prepmat> Matrix trace = 14566680.0000
Prepmat> Last element read: 28749 28749 89.7431
Prepmat> 12091 lines saved.
Prepmat> 10626 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: 9583
RTB> Total mass = 9583.0000
RTB> Number of atoms found in matrix: 9583
RTB> Number of blocks = 155
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 335895.6927
RTB> 50379 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: 50379
Diagstd> Projected matrix trace = 335895.6927
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 = 335895.6927
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 0.1088279 0.1513150 0.4664017 0.8333897
1.2053543 1.2989996 1.5791531 1.7099507 1.8146146
2.1329672 2.2242464 3.0654300 4.1462068 4.4524933
5.5479780 5.8596200 6.5476114 6.5556155 6.8748913
7.1011671 7.2081442 7.9440600 8.1382473 8.8351984
8.8673112 9.8733312 10.2842610 10.8314642 12.6394029
12.7604907 13.6593529 14.5564954 15.4016755 16.0793074
16.6823250 16.9087494 18.3024045 19.1687135 19.6889781
20.7938602 21.3298320 22.2231309 23.0175154 23.4362006
24.2923361 25.1176934 26.1648560 26.7454843 27.4122515
28.2787179 28.8079556 30.2821142 31.2192662 31.8436498
32.0326224 32.9462425 33.9682127 34.5764820 35.3298976
36.2370096 36.7579364 38.2361414 38.4359112 39.9088046
40.8681884 42.4772814 42.6487004 43.8157935 44.3435734
45.7488871 47.1587701 47.4074836 48.5337276 50.0139603
50.5742810 51.1840798 52.5286242 53.6114304 54.3776908
55.2131354 55.6414119 56.8264939 57.4964405 59.0789856
59.4716078 60.6877375 62.3215953 62.6884914 64.2262692
64.5981984 65.3432816 66.4111378 66.8011535 67.9373785
68.3998908 68.8136325 69.7001550 70.3968230 71.2890300
72.6318791
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034316 0.0034324 0.0034339 0.0034349 0.0034355
0.0034374 35.8232780 42.2412084 74.1609591 99.1332488
119.2209648 123.7655516 136.4606405 141.9995858 146.2808522
158.5942264 161.9521550 190.1257671 221.1163020 229.1378948
255.7776814 262.8633298 277.8668434 278.0366298 284.7267029
289.3744251 291.5459505 306.0670215 309.7852405 322.7776328
323.3636933 341.2142287 348.2425421 357.3870928 386.0633358
387.9082067 401.3380566 414.3083575 426.1664577 435.4406296
443.5305813 446.5303929 464.5680670 475.4356723 481.8444582
495.1797085 501.5208555 511.9150554 520.9841392 525.7010978
535.2170264 544.2333577 555.4621295 561.5914840 568.5486519
577.4642973 582.8428857 597.5694368 606.7455863 612.7829878
614.5985446 623.3015767 632.8949470 638.5364330 645.4557433
653.6894201 658.3712248 671.4788064 673.2306367 686.0087260
694.2053777 707.7398292 709.1664495 718.8042248 723.1204170
734.4894246 745.7212442 747.6851100 756.5142350 767.9640721
772.2539511 776.8957226 787.0336356 795.1040722 800.7660657
806.8939987 810.0174057 818.5980598 823.4092850 834.6642168
837.4330953 845.9520626 857.2639504 859.7836651 870.2652212
872.7814020 877.8003527 884.9439017 887.5386225 895.0548965
898.0964598 900.8085970 906.5925634 911.1120912 916.8676150
925.4627019
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9583
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: 9.9863E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9911E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9999E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0020E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1088
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1513
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.4664
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.8334
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.205
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.299
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.579
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.710
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 1.815
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.133
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.224
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 3.065
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 4.146
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 4.452
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 5.548
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 5.860
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 6.548
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 6.556
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.875
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 7.101
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.208
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.944
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 8.138
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 8.835
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 8.867
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 9.873
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 10.28
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 10.83
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 12.64
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 12.76
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 13.66
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 14.56
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 15.40
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 16.08
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 16.68
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 16.91
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 18.30
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 19.17
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 19.69
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 20.79
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 21.33
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 22.22
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 23.02
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 23.44
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 24.29
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 25.12
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 26.16
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 26.75
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 27.41
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 28.28
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 28.81
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 30.28
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 31.22
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 31.84
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 32.03
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 32.95
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 33.97
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 34.58
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 35.33
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 36.24
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 36.76
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 38.24
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 38.44
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 39.91
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 40.87
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 42.48
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 42.65
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 43.82
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 44.34
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 45.75
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 47.16
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 47.41
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 48.53
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 50.01
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 50.57
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 51.18
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 52.53
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 53.61
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 54.38
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 55.21
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 55.64
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 56.83
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 57.50
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 59.08
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 59.47
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 60.69
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 62.32
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 62.69
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 64.23
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 64.60
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 65.34
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 66.41
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 66.80
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 67.94
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 68.40
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 68.81
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 69.70
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 70.40
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 71.29
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 72.63
Rtb_to_modes> 106 vectors, with 930 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99997 1.00001 0.99998 1.00000 1.00000
0.99998 1.00002 0.99998 1.00001 1.00002
0.99997 1.00000 1.00002 0.99998 1.00001
1.00001 0.99998 0.99999 0.99999 0.99999
0.99999 0.99999 0.99999 0.99999 1.00003
1.00001 0.99998 0.99998 1.00000 1.00001
1.00000 0.99998 1.00000 0.99998 1.00001
0.99999 0.99999 1.00001 1.00000 0.99999
1.00001 1.00003 1.00001 0.99999 1.00003
1.00002 0.99996 0.99999 1.00000 1.00006
1.00000 1.00000 1.00001 0.99998 0.99997
1.00000 0.99997 1.00001 1.00003 1.00000
0.99999 1.00000 1.00002 0.99997 1.00000
0.99998 1.00001 1.00000 0.99995 1.00003
0.99999 0.99999 0.99997 0.99999 1.00000
1.00002 0.99997 1.00000 1.00001 0.99999
0.99998 0.99999 1.00002 1.00000 1.00000
1.00002 0.99999 1.00000 0.99998 1.00000
0.99999 0.99998 1.00001 1.00000 1.00002
1.00001 1.00001 0.99998 0.99999 1.00000
1.00002 1.00002 1.00005 1.00001 0.99998
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 172494 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99997 1.00001 0.99998 1.00000 1.00000
0.99998 1.00002 0.99998 1.00001 1.00002
0.99997 1.00000 1.00002 0.99998 1.00001
1.00001 0.99998 0.99999 0.99999 0.99999
0.99999 0.99999 0.99999 0.99999 1.00003
1.00001 0.99998 0.99998 1.00000 1.00001
1.00000 0.99998 1.00000 0.99998 1.00001
0.99999 0.99999 1.00001 1.00000 0.99999
1.00001 1.00003 1.00001 0.99999 1.00003
1.00002 0.99996 0.99999 1.00000 1.00006
1.00000 1.00000 1.00001 0.99998 0.99997
1.00000 0.99997 1.00001 1.00003 1.00000
0.99999 1.00000 1.00002 0.99997 1.00000
0.99998 1.00001 1.00000 0.99995 1.00003
0.99999 0.99999 0.99997 0.99999 1.00000
1.00002 0.99997 1.00000 1.00001 0.99999
0.99998 0.99999 1.00002 1.00000 1.00000
1.00002 0.99999 1.00000 0.99998 1.00000
0.99999 0.99998 1.00001 1.00000 1.00002
1.00001 1.00001 0.99998 0.99999 1.00000
1.00002 1.00002 1.00005 1.00001 0.99998
0.99999
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> 2607200054532745541.eigenfacs
Openam> file on opening on unit 10:
2607200054532745541.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2607200054532745541.atom
Openam> file on opening on unit 11:
2607200054532745541.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 = 609
First residue number = 1
Last residue number = 109
Number of atoms found = 9583
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: 9.9863E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9911E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9999E-10
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: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0020E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1513
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4664
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.205
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.299
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.579
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.710
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 1.815
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.224
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 3.065
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 4.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 4.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 5.548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 5.860
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 6.548
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 6.556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.875
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 7.101
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.208
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.944
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 8.138
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 8.835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 8.867
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.873
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 10.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 12.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 13.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 14.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 15.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 16.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 16.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 16.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 18.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 19.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 19.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 20.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 21.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 22.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 23.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 23.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 24.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 25.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 26.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 26.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 27.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 28.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 28.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 30.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 31.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 31.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 32.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 32.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 33.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 34.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 35.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 36.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 36.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 38.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 38.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 39.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 40.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 42.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 42.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 43.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 44.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 45.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 47.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 47.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 48.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 50.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 50.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 51.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 52.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 53.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 54.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 55.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 55.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 56.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 57.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 59.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 59.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 60.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 62.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 62.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 64.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 64.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 65.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 66.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 66.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 67.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 68.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 68.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 69.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 70.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 71.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 72.63
Bfactors> 106 vectors, 28749 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 : 0.108800
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= -0.399 for 609 C-alpha atoms.
Bfactors> = 0.043 +/- 0.23
Bfactors> = 78.911 +/- 13.39
Bfactors> Shiftng-fct= 78.868
Bfactors> Scaling-fct= 58.495
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2607200054532745541.eigenfacs
Openam> file on opening on unit 10:
2607200054532745541.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4315E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4323E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4347E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4354E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4372E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 35.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 42.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 74.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 99.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 119.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 123.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 136.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 142.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 146.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 158.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 161.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 190.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 221.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 229.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 255.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 262.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 277.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 278.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 284.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 289.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 291.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 306.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 309.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 322.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 323.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 341.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 348.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 357.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 386.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 387.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 401.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 414.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 426.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 435.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 443.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 446.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 464.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 475.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 481.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 495.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 501.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 511.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 521.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 525.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 535.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 544.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 555.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 561.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 568.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 577.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 582.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 597.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 606.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 612.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 614.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 623.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 632.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 638.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 645.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 653.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 658.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 671.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 673.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 686.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 694.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 707.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 709.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 718.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 723.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 734.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 745.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 747.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 756.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 767.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 772.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 776.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 787.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 795.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 800.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 806.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 810.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 818.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 823.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 834.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 837.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 845.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 857.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 859.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 870.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 872.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 877.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 884.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 887.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 895.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 898.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 900.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 906.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 911.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 916.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 925.4
Chkmod> 106 vectors, 28749 coordinates in file.
Chkmod> That is: 9583 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 50 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 69 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 103 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7694
0.0034 0.6638
0.0034 0.6559
0.0034 0.6097
0.0034 0.9225
0.0034 0.8604
35.8172 0.0314
42.2373 0.0314
74.1576 0.0645
99.1296 0.0873
119.1983 0.1795
123.7603 0.0519
136.4482 0.0715
141.9955 0.1013
146.2901 0.0815
158.5886 0.0412
161.9362 0.0813
190.1043 0.0414
221.1013 0.2344
229.1154 0.3541
255.7672 0.3006
262.8606 0.2234
277.8632 0.2544
278.0328 0.2459
284.7167 0.1446
289.3586 0.1716
291.5305 0.1853
306.0527 0.1977
309.7672 0.1932
322.7602 0.2350
323.3441 0.2821
341.1939 0.2811
348.1554 0.0968
357.3476 0.3436
386.0559 0.1932
387.8841 0.3614
401.3303 0.3747
414.3404 0.2293
426.1250 0.2628
435.4313 0.0697
443.4806 0.1700
446.5277 0.1139
464.5176 0.3756
475.4312 0.2494
481.8363 0.1878
495.1125 0.4046
501.5013 0.3466
511.8570 0.3794
520.9899 0.2984
525.7211 0.1410
535.1683 0.4395
544.2350 0.3612
555.3867 0.5183
561.6148 0.4544
568.5009 0.4785
577.4526 0.5156
582.8385 0.3183
597.5229 0.1171
606.7267 0.2957
612.7216 0.2206
614.5470 0.3893
623.3104 0.3421
632.8844 0.3389
638.5415 0.3390
645.4290 0.4062
653.6883 0.3100
658.3614 0.1898
671.4839 0.4909
673.2375 0.3982
685.9896 0.3797
694.1910 0.4369
707.7321 0.2333
709.1468 0.2114
718.8079 0.3246
723.0602 0.3184
734.4668 0.4277
745.6990 0.3083
747.6729 0.2615
756.4527 0.3021
767.9007 0.3497
772.1881 0.2928
776.8314 0.3865
787.0102 0.5204
795.0593 0.3240
800.7487 0.3697
806.8365 0.2141
809.9724 0.3667
818.5882 0.2275
823.3994 0.4210
834.6356 0.4832
837.3858 0.5227
845.9315 0.4728
857.2162 0.3136
859.7571 0.2950
870.2531 0.3104
872.7561 0.4002
877.7406 0.3996
884.8983 0.2858
887.4929 0.4425
895.0337 0.2073
898.0586 0.2751
900.7462 0.3908
906.5526 0.2797
911.0935 0.2951
916.8345 0.4512
925.4110 0.3774
getting mode 7
running: ../../bin/get_modes.sh 2607200054532745541 7 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.7.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 2607200054532745541.7.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 2607200054532745541.7.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 2607200054532745541 8 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.8.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 2607200054532745541.8.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 2607200054532745541.8.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 2607200054532745541 9 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.9.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 2607200054532745541.9.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 2607200054532745541.9.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 2607200054532745541 10 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.10.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 2607200054532745541.10.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 2607200054532745541.10.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 2607200054532745541 11 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.11.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 2607200054532745541.11.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 2607200054532745541.11.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
getting mode 12
running: ../../bin/get_modes.sh 2607200054532745541 12 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.12.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 2607200054532745541.12.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 2607200054532745541.12.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 13
running: ../../bin/get_modes.sh 2607200054532745541 13 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.13.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 2607200054532745541.13.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 2607200054532745541.13.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 14
running: ../../bin/get_modes.sh 2607200054532745541 14 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.14.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 2607200054532745541.14.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 2607200054532745541.14.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 15
running: ../../bin/get_modes.sh 2607200054532745541 15 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.15.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 2607200054532745541.15.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 2607200054532745541.15.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 16
running: ../../bin/get_modes.sh 2607200054532745541 16 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.16.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 2607200054532745541.16.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 2607200054532745541.16.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 17
running: ../../bin/get_modes.sh 2607200054532745541 17 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.17.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 2607200054532745541.17.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 2607200054532745541.17.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 18
running: ../../bin/get_modes.sh 2607200054532745541 18 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.18.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 2607200054532745541.18.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 2607200054532745541.18.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 19
running: ../../bin/get_modes.sh 2607200054532745541 19 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.19.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 2607200054532745541.19.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 2607200054532745541.19.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 20
running: ../../bin/get_modes.sh 2607200054532745541 20 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.20.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 2607200054532745541.20.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 2607200054532745541.20.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 21
running: ../../bin/get_modes.sh 2607200054532745541 21 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.21.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 2607200054532745541.21.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 2607200054532745541.21.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 22
running: ../../bin/get_modes.sh 2607200054532745541 22 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.22.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 2607200054532745541.22.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 2607200054532745541.22.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 23
running: ../../bin/get_modes.sh 2607200054532745541 23 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.23.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 2607200054532745541.23.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 2607200054532745541.23.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 24
running: ../../bin/get_modes.sh 2607200054532745541 24 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.24.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 2607200054532745541.24.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 2607200054532745541.24.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 25
running: ../../bin/get_modes.sh 2607200054532745541 25 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.25.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 2607200054532745541.25.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 2607200054532745541.25.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 26
running: ../../bin/get_modes.sh 2607200054532745541 26 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.26.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 2607200054532745541.26.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 2607200054532745541.26.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 27
running: ../../bin/get_modes.sh 2607200054532745541 27 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.27.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 2607200054532745541.27.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 2607200054532745541.27.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 28
running: ../../bin/get_modes.sh 2607200054532745541 28 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.28.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 2607200054532745541.28.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 2607200054532745541.28.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 29
running: ../../bin/get_modes.sh 2607200054532745541 29 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.29.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 2607200054532745541.29.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 2607200054532745541.29.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 30
running: ../../bin/get_modes.sh 2607200054532745541 30 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.30.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 2607200054532745541.30.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 2607200054532745541.30.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 31
running: ../../bin/get_modes.sh 2607200054532745541 31 -50 50 10 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-50
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=-10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=0
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=10
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=20
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=30
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=40
2607200054532745541.eigenfacs
2607200054532745541.atom
calculating perturbed structure for DQ=50
2607200054532745541.eigenfacs
2607200054532745541.atom
making animated gifs
11 models are in 2607200054532745541.31.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 2607200054532745541.31.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 2607200054532745541.31.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
2607200054532745541.10.pdb
2607200054532745541.11.pdb
2607200054532745541.12.pdb
2607200054532745541.13.pdb
2607200054532745541.14.pdb
2607200054532745541.15.pdb
2607200054532745541.16.pdb
2607200054532745541.17.pdb
2607200054532745541.18.pdb
2607200054532745541.19.pdb
2607200054532745541.20.pdb
2607200054532745541.21.pdb
2607200054532745541.22.pdb
2607200054532745541.23.pdb
2607200054532745541.24.pdb
2607200054532745541.25.pdb
2607200054532745541.26.pdb
2607200054532745541.27.pdb
2607200054532745541.28.pdb
2607200054532745541.29.pdb
2607200054532745541.30.pdb
2607200054532745541.31.pdb
2607200054532745541.7.pdb
2607200054532745541.8.pdb
2607200054532745541.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m50.722s
user 0m50.315s
sys 0m0.357s
rm: cannot remove '2607200054532745541.sdijf': No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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