*** sec_ITASSER ***
Output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2607191901022545495.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 2607191901022545495.atom to be opened.
Openam> File opened: 2607191901022545495.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 612
First residue number = 1
Last residue number = 612
Number of atoms found = 9634
Mean number per residue = 15.7
Pdbmat> Coordinate statistics:
= 23.521329 +/- 11.905923 From: -4.304000 To: 57.378000
= 11.797310 +/- 15.841094 From: -27.544000 To: 51.960000
= 44.533692 +/- 17.931269 From: 8.735000 To: 97.761000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> 3 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 1.6491 % Filled.
Pdbmat> 6888076 non-zero elements.
Pdbmat> 759048 atom-atom interactions.
Pdbmat> Number per atom= 157.58 +/- 53.37
Maximum number = 299
Minimum number = 17
Pdbmat> Matrix trace = 1.518096E+07
Pdbmat> Larger element = 1129.69
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
612 non-zero elements, NRBL set to 4
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2607191901022545495.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 2607191901022545495.atom to be opened.
Openam> file on opening on unit 11:
2607191901022545495.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 9634 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 612 residues.
Blocpdb> 56 atoms in block 1
Block first atom: 1
Blocpdb> 55 atoms in block 2
Block first atom: 57
Blocpdb> 56 atoms in block 3
Block first atom: 112
Blocpdb> 75 atoms in block 4
Block first atom: 168
Blocpdb> 72 atoms in block 5
Block first atom: 243
Blocpdb> 64 atoms in block 6
Block first atom: 315
Blocpdb> 71 atoms in block 7
Block first atom: 379
Blocpdb> 68 atoms in block 8
Block first atom: 450
Blocpdb> 56 atoms in block 9
Block first atom: 518
Blocpdb> 55 atoms in block 10
Block first atom: 574
Blocpdb> 62 atoms in block 11
Block first atom: 629
Blocpdb> 58 atoms in block 12
Block first atom: 691
Blocpdb> 47 atoms in block 13
Block first atom: 749
Blocpdb> 65 atoms in block 14
Block first atom: 796
Blocpdb> 61 atoms in block 15
Block first atom: 861
Blocpdb> 43 atoms in block 16
Block first atom: 922
Blocpdb> 62 atoms in block 17
Block first atom: 965
Blocpdb> 68 atoms in block 18
Block first atom: 1027
Blocpdb> 61 atoms in block 19
Block first atom: 1095
Blocpdb> 67 atoms in block 20
Block first atom: 1156
Blocpdb> 65 atoms in block 21
Block first atom: 1223
Blocpdb> 66 atoms in block 22
Block first atom: 1288
Blocpdb> 59 atoms in block 23
Block first atom: 1354
Blocpdb> 62 atoms in block 24
Block first atom: 1413
Blocpdb> 70 atoms in block 25
Block first atom: 1475
Blocpdb> 48 atoms in block 26
Block first atom: 1545
Blocpdb> 80 atoms in block 27
Block first atom: 1593
Blocpdb> 60 atoms in block 28
Block first atom: 1673
Blocpdb> 75 atoms in block 29
Block first atom: 1733
Blocpdb> 57 atoms in block 30
Block first atom: 1808
Blocpdb> 53 atoms in block 31
Block first atom: 1865
Blocpdb> 73 atoms in block 32
Block first atom: 1918
Blocpdb> 60 atoms in block 33
Block first atom: 1991
Blocpdb> 66 atoms in block 34
Block first atom: 2051
Blocpdb> 60 atoms in block 35
Block first atom: 2117
Blocpdb> 65 atoms in block 36
Block first atom: 2177
Blocpdb> 57 atoms in block 37
Block first atom: 2242
Blocpdb> 76 atoms in block 38
Block first atom: 2299
Blocpdb> 48 atoms in block 39
Block first atom: 2375
Blocpdb> 55 atoms in block 40
Block first atom: 2423
Blocpdb> 70 atoms in block 41
Block first atom: 2478
Blocpdb> 69 atoms in block 42
Block first atom: 2548
Blocpdb> 72 atoms in block 43
Block first atom: 2617
Blocpdb> 58 atoms in block 44
Block first atom: 2689
Blocpdb> 47 atoms in block 45
Block first atom: 2747
Blocpdb> 68 atoms in block 46
Block first atom: 2794
Blocpdb> 62 atoms in block 47
Block first atom: 2862
Blocpdb> 64 atoms in block 48
Block first atom: 2924
Blocpdb> 55 atoms in block 49
Block first atom: 2988
Blocpdb> 58 atoms in block 50
Block first atom: 3043
Blocpdb> 67 atoms in block 51
Block first atom: 3101
Blocpdb> 52 atoms in block 52
Block first atom: 3168
Blocpdb> 53 atoms in block 53
Block first atom: 3220
Blocpdb> 63 atoms in block 54
Block first atom: 3273
Blocpdb> 68 atoms in block 55
Block first atom: 3336
Blocpdb> 69 atoms in block 56
Block first atom: 3404
Blocpdb> 76 atoms in block 57
Block first atom: 3473
Blocpdb> 79 atoms in block 58
Block first atom: 3549
Blocpdb> 78 atoms in block 59
Block first atom: 3628
Blocpdb> 69 atoms in block 60
Block first atom: 3706
Blocpdb> 81 atoms in block 61
Block first atom: 3775
Blocpdb> 45 atoms in block 62
Block first atom: 3856
Blocpdb> 79 atoms in block 63
Block first atom: 3901
Blocpdb> 45 atoms in block 64
Block first atom: 3980
Blocpdb> 73 atoms in block 65
Block first atom: 4025
Blocpdb> 69 atoms in block 66
Block first atom: 4098
Blocpdb> 52 atoms in block 67
Block first atom: 4167
Blocpdb> 67 atoms in block 68
Block first atom: 4219
Blocpdb> 53 atoms in block 69
Block first atom: 4286
Blocpdb> 60 atoms in block 70
Block first atom: 4339
Blocpdb> 65 atoms in block 71
Block first atom: 4399
Blocpdb> 72 atoms in block 72
Block first atom: 4464
Blocpdb> 57 atoms in block 73
Block first atom: 4536
Blocpdb> 57 atoms in block 74
Block first atom: 4593
Blocpdb> 83 atoms in block 75
Block first atom: 4650
Blocpdb> 44 atoms in block 76
Block first atom: 4733
Blocpdb> 75 atoms in block 77
Block first atom: 4777
Blocpdb> 67 atoms in block 78
Block first atom: 4852
Blocpdb> 65 atoms in block 79
Block first atom: 4919
Blocpdb> 74 atoms in block 80
Block first atom: 4984
Blocpdb> 66 atoms in block 81
Block first atom: 5058
Blocpdb> 67 atoms in block 82
Block first atom: 5124
Blocpdb> 65 atoms in block 83
Block first atom: 5191
Blocpdb> 62 atoms in block 84
Block first atom: 5256
Blocpdb> 65 atoms in block 85
Block first atom: 5318
Blocpdb> 57 atoms in block 86
Block first atom: 5383
Blocpdb> 67 atoms in block 87
Block first atom: 5440
Blocpdb> 53 atoms in block 88
Block first atom: 5507
Blocpdb> 78 atoms in block 89
Block first atom: 5560
Blocpdb> 64 atoms in block 90
Block first atom: 5638
Blocpdb> 64 atoms in block 91
Block first atom: 5702
Blocpdb> 52 atoms in block 92
Block first atom: 5766
Blocpdb> 70 atoms in block 93
Block first atom: 5818
Blocpdb> 59 atoms in block 94
Block first atom: 5888
Blocpdb> 64 atoms in block 95
Block first atom: 5947
Blocpdb> 78 atoms in block 96
Block first atom: 6011
Blocpdb> 48 atoms in block 97
Block first atom: 6089
Blocpdb> 60 atoms in block 98
Block first atom: 6137
Blocpdb> 52 atoms in block 99
Block first atom: 6197
Blocpdb> 73 atoms in block 100
Block first atom: 6249
Blocpdb> 63 atoms in block 101
Block first atom: 6322
Blocpdb> 57 atoms in block 102
Block first atom: 6385
Blocpdb> 64 atoms in block 103
Block first atom: 6442
Blocpdb> 65 atoms in block 104
Block first atom: 6506
Blocpdb> 63 atoms in block 105
Block first atom: 6571
Blocpdb> 68 atoms in block 106
Block first atom: 6634
Blocpdb> 67 atoms in block 107
Block first atom: 6702
Blocpdb> 84 atoms in block 108
Block first atom: 6769
Blocpdb> 81 atoms in block 109
Block first atom: 6853
Blocpdb> 53 atoms in block 110
Block first atom: 6934
Blocpdb> 65 atoms in block 111
Block first atom: 6987
Blocpdb> 62 atoms in block 112
Block first atom: 7052
Blocpdb> 70 atoms in block 113
Block first atom: 7114
Blocpdb> 62 atoms in block 114
Block first atom: 7184
Blocpdb> 56 atoms in block 115
Block first atom: 7246
Blocpdb> 77 atoms in block 116
Block first atom: 7302
Blocpdb> 66 atoms in block 117
Block first atom: 7379
Blocpdb> 73 atoms in block 118
Block first atom: 7445
Blocpdb> 65 atoms in block 119
Block first atom: 7518
Blocpdb> 57 atoms in block 120
Block first atom: 7583
Blocpdb> 61 atoms in block 121
Block first atom: 7640
Blocpdb> 64 atoms in block 122
Block first atom: 7701
Blocpdb> 82 atoms in block 123
Block first atom: 7765
Blocpdb> 67 atoms in block 124
Block first atom: 7847
Blocpdb> 58 atoms in block 125
Block first atom: 7914
Blocpdb> 61 atoms in block 126
Block first atom: 7972
Blocpdb> 58 atoms in block 127
Block first atom: 8033
Blocpdb> 67 atoms in block 128
Block first atom: 8091
Blocpdb> 53 atoms in block 129
Block first atom: 8158
Blocpdb> 72 atoms in block 130
Block first atom: 8211
Blocpdb> 68 atoms in block 131
Block first atom: 8283
Blocpdb> 70 atoms in block 132
Block first atom: 8351
Blocpdb> 66 atoms in block 133
Block first atom: 8421
Blocpdb> 52 atoms in block 134
Block first atom: 8487
Blocpdb> 47 atoms in block 135
Block first atom: 8539
Blocpdb> 48 atoms in block 136
Block first atom: 8586
Blocpdb> 61 atoms in block 137
Block first atom: 8634
Blocpdb> 55 atoms in block 138
Block first atom: 8695
Blocpdb> 51 atoms in block 139
Block first atom: 8750
Blocpdb> 53 atoms in block 140
Block first atom: 8801
Blocpdb> 70 atoms in block 141
Block first atom: 8854
Blocpdb> 56 atoms in block 142
Block first atom: 8924
Blocpdb> 50 atoms in block 143
Block first atom: 8980
Blocpdb> 63 atoms in block 144
Block first atom: 9030
Blocpdb> 73 atoms in block 145
Block first atom: 9093
Blocpdb> 45 atoms in block 146
Block first atom: 9166
Blocpdb> 88 atoms in block 147
Block first atom: 9211
Blocpdb> 58 atoms in block 148
Block first atom: 9299
Blocpdb> 63 atoms in block 149
Block first atom: 9357
Blocpdb> 52 atoms in block 150
Block first atom: 9420
Blocpdb> 50 atoms in block 151
Block first atom: 9472
Blocpdb> 47 atoms in block 152
Block first atom: 9522
Blocpdb> 66 atoms in block 153
Block first atom: 9568
Blocpdb> 153 blocks.
Blocpdb> At most, 88 atoms in each of them.
Blocpdb> At least, 43 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> 6888229 matrix lines read.
Prepmat> Matrix order = 28902
Prepmat> Matrix trace = 15180960.0000
Prepmat> Last element read: 28902 28902 94.8176
Prepmat> 11782 lines saved.
Prepmat> 10269 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 9634
RTB> Total mass = 9634.0000
RTB> Number of atoms found in matrix: 9634
RTB> Number of blocks = 153
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 352311.1801
RTB> 52137 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 = 918
Diagstd> Nb of non-zero elements: 52137
Diagstd> Projected matrix trace = 352311.1801
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 918 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 352311.1801
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 0.5371190 0.7043630 1.0240380 1.5102687
2.5735899 3.1927736 3.9797645 4.0596467 4.6297673
5.4472522 6.0251358 7.4885099 8.0452369 8.4262003
9.2348694 9.7567374 10.3229990 11.6856429 11.7852713
13.4336207 14.2882728 14.6498008 15.3669632 16.7125624
17.1156601 18.3323669 19.1519333 19.5182190 19.8904901
21.5301235 21.7698493 23.0231447 23.1874309 25.3297870
25.7699824 26.3105584 26.8156841 27.0278798 28.7857730
29.9792650 30.3568005 30.9978112 32.0478980 33.4196334
33.9460545 34.3443537 35.0170561 36.1681771 36.7358271
37.7812086 38.6377754 39.4275154 40.0693926 41.6747318
42.1127821 43.1861139 43.8526329 45.0426642 45.7054748
47.0464321 48.8466868 49.0731408 49.6816924 51.4369714
51.8477264 53.2354788 54.6227305 54.7082370 56.8466172
58.3844691 59.3214320 60.5190542 61.0928196 62.1234630
63.7369551 65.1162397 66.0478315 66.0855175 66.6442103
67.2146784 68.8545989 69.6199148 72.1906030 72.5661983
73.5858296 73.8775922 74.0999627 76.1083872 76.2933188
77.0766969 77.4446447 78.1389027 79.5373030 80.5261951
82.0661875 82.7534647 83.8268350 85.1008633 85.5455037
86.2565333
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034319 0.0034320 0.0034330 0.0034332 0.0034336
0.0034348 79.5848759 91.1367551 109.8887685 133.4511708
174.2067380 194.0346739 216.6326762 218.7960105 233.6548829
253.4451704 266.5500083 297.1618020 308.0099157 315.2181157
329.9975067 339.1935533 348.8977933 371.2116401 372.7907033
398.0080182 410.4735215 415.6340695 425.6859401 443.9323577
449.2541590 464.9481788 475.2275287 479.7504306 484.3039628
503.8700460 506.6674346 521.0478427 522.9035579 546.5262789
551.2547455 557.0065643 562.3280149 564.5485157 582.6184428
594.5738037 598.3058902 604.5897702 614.7450708 627.7635866
632.6884879 636.3894247 642.5916771 653.0682807 658.1731959
667.4722331 674.9962142 681.8596409 687.3875465 701.0220637
704.6967146 713.6205424 719.1063384 728.7982406 734.1408544
744.8325144 758.9494247 760.7066407 765.4088353 778.8126106
781.9160692 792.3113227 802.5682655 803.1961906 818.7429873
829.7436703 836.3750969 844.7755703 848.7706725 855.9001625
866.9437829 876.2740222 882.5200114 882.7717528 886.4954139
890.2814874 901.0766934 906.0705689 922.6470869 925.0441601
931.5204110 933.3652904 934.7689430 947.3523568 948.5026179
953.3597836 955.6326427 959.9065041 968.4578204 974.4596703
983.7333827 987.8440157 994.2298886 1001.7567172 1004.3703285
1008.5357095
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 9634
Rtb_to_modes> Number of blocs = 153
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: 9.9882E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9885E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9943E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9954E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9980E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.5371
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.7044
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.024
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.510
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.574
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.193
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 3.980
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.060
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.630
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.447
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 6.025
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 7.489
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 8.045
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 8.426
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 9.235
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 9.757
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.32
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.69
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 11.79
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 13.43
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 14.29
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.65
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 15.37
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 16.71
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 17.12
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 18.33
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 19.15
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 19.52
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 19.89
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 21.53
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 21.77
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 23.02
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 23.19
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 25.33
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 25.77
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 26.31
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 26.82
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 27.03
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 28.79
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 29.98
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 30.36
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 31.00
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 32.05
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 33.42
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 33.95
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 34.34
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 35.02
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 36.17
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 36.74
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 37.78
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 38.64
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 39.43
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 40.07
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 41.67
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 42.11
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 43.19
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 43.85
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 45.04
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 45.71
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 47.05
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 48.85
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 49.07
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 49.68
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 51.44
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 51.85
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 53.24
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 54.62
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 54.71
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 56.85
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 58.38
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 59.32
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 60.52
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 61.09
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 62.12
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 63.74
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 65.12
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 66.05
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 66.09
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 66.64
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 67.21
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 68.85
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 69.62
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 72.19
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 72.57
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 73.59
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 73.88
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 74.10
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 76.11
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 76.29
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 77.08
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 77.44
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 78.14
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 79.54
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 80.53
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 82.07
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 82.75
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 83.83
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 85.10
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 85.55
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 86.26
Rtb_to_modes> 106 vectors, with 918 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00003 0.99999 1.00000 1.00000 1.00001
0.99999 0.99998 1.00003 1.00002 1.00000
0.99998 0.99996 0.99998 0.99998 0.99997
0.99999 1.00000 0.99998 0.99999 1.00000
1.00002 0.99998 1.00001 1.00000 0.99999
1.00001 1.00002 1.00000 1.00004 0.99999
1.00000 1.00001 1.00000 0.99999 1.00002
0.99999 1.00000 1.00000 1.00000 1.00002
0.99999 1.00001 1.00004 0.99997 1.00002
1.00000 1.00003 1.00000 0.99999 1.00001
0.99998 1.00000 1.00002 0.99996 0.99997
0.99999 0.99999 1.00000 0.99999 1.00003
1.00001 1.00001 0.99999 0.99998 1.00002
1.00001 0.99998 1.00003 0.99999 0.99998
1.00000 1.00002 0.99999 1.00000 1.00000
1.00002 0.99999 1.00002 0.99999 1.00000
0.99998 0.99998 1.00000 0.99999 1.00001
1.00000 1.00000 0.99998 1.00000 1.00000
1.00002 0.99999 1.00000 1.00002 1.00001
1.00001 1.00001 0.99999 0.99999 1.00000
1.00001 1.00000 1.00003 0.99999 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 173412 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00003 0.99999 1.00000 1.00000 1.00001
0.99999 0.99998 1.00003 1.00002 1.00000
0.99998 0.99996 0.99998 0.99998 0.99997
0.99999 1.00000 0.99998 0.99999 1.00000
1.00002 0.99998 1.00001 1.00000 0.99999
1.00001 1.00002 1.00000 1.00004 0.99999
1.00000 1.00001 1.00000 0.99999 1.00002
0.99999 1.00000 1.00000 1.00000 1.00002
0.99999 1.00001 1.00004 0.99997 1.00002
1.00000 1.00003 1.00000 0.99999 1.00001
0.99998 1.00000 1.00002 0.99996 0.99997
0.99999 0.99999 1.00000 0.99999 1.00003
1.00001 1.00001 0.99999 0.99998 1.00002
1.00001 0.99998 1.00003 0.99999 0.99998
1.00000 1.00002 0.99999 1.00000 1.00000
1.00002 0.99999 1.00002 0.99999 1.00000
0.99998 0.99998 1.00000 0.99999 1.00001
1.00000 1.00000 0.99998 1.00000 1.00000
1.00002 0.99999 1.00000 1.00002 1.00001
1.00001 1.00001 0.99999 0.99999 1.00000
1.00001 1.00000 1.00003 0.99999 1.00000
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000 0.000
Vector 4: 0.000-0.000 0.000
Vector 5:-0.000-0.000-0.000 0.000
Vector 6: 0.000 0.000 0.000 0.000 0.000
Vector 7:-0.000-0.000 0.000-0.000 0.000-0.000
Vector 8: 0.000 0.000-0.000 0.000 0.000 0.000-0.000
Vector 9: 0.000 0.000-0.000 0.000 0.000 0.000-0.000-0.000
Vector 10:-0.000 0.000-0.000-0.000-0.000-0.000 0.000 0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2607191901022545495.eigenfacs
Openam> file on opening on unit 10:
2607191901022545495.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2607191901022545495.atom
Openam> file on opening on unit 11:
2607191901022545495.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 612
First residue number = 1
Last residue number = 612
Number of atoms found = 9634
Mean number per residue = 15.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9882E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9885E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9943E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9954E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9980E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5371
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7044
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.024
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.574
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 3.980
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.060
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.630
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 6.025
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 7.489
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 8.045
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 8.426
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 9.235
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 9.757
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 11.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 13.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 14.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 15.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 16.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 17.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 18.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 19.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 19.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 19.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 21.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 21.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 23.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 23.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 25.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 25.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 26.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 26.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 27.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 28.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 29.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 30.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 31.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 32.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 33.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 33.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 34.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 35.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 36.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 36.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 37.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 38.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 39.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 40.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 41.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 42.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 43.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 43.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 45.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 45.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 47.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 48.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 49.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 49.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 51.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 51.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 53.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 54.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 54.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 56.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 58.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 59.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 60.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 61.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 62.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 63.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 65.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 66.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 66.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 66.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 67.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 68.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 69.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 72.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 72.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 73.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 73.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 74.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 76.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 76.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 77.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 77.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 78.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 79.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 80.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 82.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 82.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 83.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 85.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 85.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 86.26
Bfactors> 106 vectors, 28902 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.537100
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= 0.518 for 612 C-alpha atoms.
Bfactors> = 0.013 +/- 0.03
Bfactors> = 2.900 +/- 2.55
Bfactors> Shiftng-fct= 2.887
Bfactors> Scaling-fct= 80.192
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2607191901022545495.eigenfacs
Openam> file on opening on unit 10:
2607191901022545495.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4318E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4318E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4328E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4335E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4347E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 79.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 91.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 109.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 133.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 174.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 194.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 216.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 218.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 233.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 253.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 266.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 297.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 308.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 315.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 330.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 339.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 348.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 371.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 372.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 397.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 410.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 415.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 425.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 443.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 449.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 464.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 475.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 479.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 484.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 503.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 506.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 521.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 522.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 546.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 551.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 557.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 562.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 564.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 582.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 594.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 598.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 604.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 614.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 627.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 632.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 636.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 642.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 653.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 658.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 667.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 675.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 681.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 687.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 701.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 704.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 713.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 719.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 728.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 734.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 744.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 758.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 760.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 765.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 778.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 781.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 792.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 802.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 803.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 818.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 829.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 836.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 844.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 848.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 855.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 866.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 876.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 882.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 882.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 886.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 890.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 901.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 906.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 922.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 925.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 931.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 933.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 934.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 947.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 948.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 953.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 955.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 959.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 968.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 974.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 983.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 987.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 994.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 1002.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 1004.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 1009.
Chkmod> 106 vectors, 28902 coordinates in file.
Chkmod> That is: 9634 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
Chkmod> Normal end.
0.0034 0.6959
0.0034 0.7374
0.0034 0.9400
0.0034 0.9600
0.0034 0.7738
0.0034 0.7299
79.5801 0.0607
91.1352 0.0391
109.8820 0.2237
133.4336 0.2712
174.2131 0.1787
194.0332 0.0492
216.6298 0.1847
218.7961 0.0911
233.6507 0.0839
253.4284 0.4011
266.5356 0.2112
297.1588 0.1910
307.9922 0.4383
315.2008 0.2751
329.9857 0.1543
339.1836 0.2965
348.8321 0.2958
371.2649 0.2867
372.8495 0.2410
397.9373 0.2759
410.4807 0.3339
415.6191 0.3951
425.7097 0.2852
443.8793 0.1321
449.2918 0.3192
464.8982 0.3747
475.1831 0.4444
479.7517 0.3151
484.2772 0.2147
503.8470 0.3219
506.6474 0.4198
520.9899 0.4293
522.9101 0.4838
546.5051 0.2909
551.2313 0.3202
556.9767 0.1809
562.3491 0.2830
564.5464 0.3364
582.6362 0.3991
594.5556 0.2874
598.3117 0.3453
604.5852 0.4099
614.7388 0.3520
627.7401 0.3552
632.6981 0.2999
636.3218 0.4500
642.5911 0.4352
653.0567 0.4257
658.1823 0.3581
667.4329 0.3985
674.9867 0.4178
681.8519 0.3601
687.3632 0.3941
700.9522 0.3079
704.6432 0.2480
713.6220 0.3047
719.0539 0.2682
728.7454 0.3030
734.1457 0.3277
744.8288 0.2684
758.9426 0.3670
760.6496 0.3548
765.3629 0.4612
778.8021 0.4878
781.8996 0.4861
792.3110 0.4170
802.5138 0.4477
803.1747 0.3752
818.7322 0.3715
829.6763 0.2433
836.3291 0.4203
844.7459 0.4335
848.7147 0.2478
855.8396 0.4888
866.9273 0.4331
876.2617 0.5258
882.4966 0.5480
882.7638 0.3880
886.4294 0.3578
890.2123 0.4996
901.0079 0.3790
906.0322 0.3132
922.6036 0.4696
925.0287 0.3285
931.5068 0.4472
933.3404 0.2886
934.7291 0.4673
947.3217 0.2996
948.4413 0.4233
953.3393 0.4586
955.5630 0.3719
959.8720 0.3530
968.4327 0.2568
974.4409 0.3944
983.7140 0.4281
987.7809 0.4702
994.2060 0.4290
1001.7086 0.3359
1004.3536 0.4739
1008.5127 0.4681
getting mode 7
running: ../../bin/get_modes.sh 2607191901022545495 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.7.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 2607191901022545495.7.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 2607191901022545495.7.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 2607191901022545495 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.8.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 2607191901022545495.8.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 2607191901022545495.8.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 2607191901022545495 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.9.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 2607191901022545495.9.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 2607191901022545495.9.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 2607191901022545495 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.10.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 2607191901022545495.10.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 2607191901022545495.10.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 2607191901022545495 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.11.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 2607191901022545495.11.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 2607191901022545495.11.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 2607191901022545495 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.12.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 2607191901022545495.12.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 2607191901022545495.12.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 2607191901022545495 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.13.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 2607191901022545495.13.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 2607191901022545495.13.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 2607191901022545495 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.14.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 2607191901022545495.14.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 2607191901022545495.14.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 2607191901022545495 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.15.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 2607191901022545495.15.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 2607191901022545495.15.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 2607191901022545495 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.16.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 2607191901022545495.16.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 2607191901022545495.16.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 2607191901022545495 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.17.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 2607191901022545495.17.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 2607191901022545495.17.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 2607191901022545495 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.18.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 2607191901022545495.18.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 2607191901022545495.18.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 2607191901022545495 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.19.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 2607191901022545495.19.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 2607191901022545495.19.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 2607191901022545495 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.20.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 2607191901022545495.20.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 2607191901022545495.20.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 2607191901022545495 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.21.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 2607191901022545495.21.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 2607191901022545495.21.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 2607191901022545495 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.22.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 2607191901022545495.22.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 2607191901022545495.22.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 2607191901022545495 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.23.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 2607191901022545495.23.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 2607191901022545495.23.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 2607191901022545495 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.24.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 2607191901022545495.24.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 2607191901022545495.24.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 2607191901022545495 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.25.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 2607191901022545495.25.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 2607191901022545495.25.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 2607191901022545495 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.26.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 2607191901022545495.26.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 2607191901022545495.26.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 2607191901022545495 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.27.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 2607191901022545495.27.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 2607191901022545495.27.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 2607191901022545495 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.28.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 2607191901022545495.28.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 2607191901022545495.28.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 2607191901022545495 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.29.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 2607191901022545495.29.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 2607191901022545495.29.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 2607191901022545495 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.30.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 2607191901022545495.30.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 2607191901022545495.30.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 2607191901022545495 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=-20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=0
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=20
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=40
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=60
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=80
2607191901022545495.eigenfacs
2607191901022545495.atom
calculating perturbed structure for DQ=100
2607191901022545495.eigenfacs
2607191901022545495.atom
making animated gifs
11 models are in 2607191901022545495.31.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 2607191901022545495.31.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 2607191901022545495.31.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
2607191901022545495.10.pdb
2607191901022545495.11.pdb
2607191901022545495.12.pdb
2607191901022545495.13.pdb
2607191901022545495.14.pdb
2607191901022545495.15.pdb
2607191901022545495.16.pdb
2607191901022545495.17.pdb
2607191901022545495.18.pdb
2607191901022545495.19.pdb
2607191901022545495.20.pdb
2607191901022545495.21.pdb
2607191901022545495.22.pdb
2607191901022545495.23.pdb
2607191901022545495.24.pdb
2607191901022545495.25.pdb
2607191901022545495.26.pdb
2607191901022545495.27.pdb
2607191901022545495.28.pdb
2607191901022545495.29.pdb
2607191901022545495.30.pdb
2607191901022545495.31.pdb
2607191901022545495.7.pdb
2607191901022545495.8.pdb
2607191901022545495.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m6.248s
user 1m5.758s
sys 0m0.468s
rm: cannot remove '2607191901022545495.sdijf': No such file or directory
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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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