***  sec_SIWIS  ***
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 = 2607191900252545021.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 2607191900252545021.atom to be opened.
Openam> File opened: 2607191900252545021.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 = 548
First residue number = 5
Last residue number = 80
Number of atoms found = 8644
Mean number per residue = 15.8
Pdbmat> Coordinate statistics:
= 22.352960 +/- 11.038075 From: -3.786000 To: 48.849000
= 13.436304 +/- 15.225441 From: -24.369000 To: 47.588000
= 44.872238 +/- 16.941454 From: 11.332000 To: 96.465000
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 1.8409 % Filled.
Pdbmat> 6189885 non-zero elements.
Pdbmat> 682119 atom-atom interactions.
Pdbmat> Number per atom= 157.82 +/- 47.82
Maximum number = 251
Minimum number = 18
Pdbmat> Matrix trace = 1.364238E+07
Pdbmat> Larger element = 896.347
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
548 non-zero elements, NRBL set to 3
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 = 2607191900252545021.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
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 2607191900252545021.atom to be opened.
Openam> file on opening on unit 11:
2607191900252545021.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 8644 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 548 residues.
Blocpdb> 43 atoms in block 1
Block first atom: 1
Blocpdb> 31 atoms in block 2
Block first atom: 44
Blocpdb> 63 atoms in block 3
Block first atom: 75
Blocpdb> 51 atoms in block 4
Block first atom: 138
Blocpdb> 53 atoms in block 5
Block first atom: 189
Blocpdb> 48 atoms in block 6
Block first atom: 242
Blocpdb> 56 atoms in block 7
Block first atom: 290
Blocpdb> 50 atoms in block 8
Block first atom: 346
Blocpdb> 54 atoms in block 9
Block first atom: 396
Blocpdb> 47 atoms in block 10
Block first atom: 450
Blocpdb> 37 atoms in block 11
Block first atom: 497
Blocpdb> 41 atoms in block 12
Block first atom: 534
Blocpdb> 43 atoms in block 13
Block first atom: 575
Blocpdb> 49 atoms in block 14
Block first atom: 618
Blocpdb> 38 atoms in block 15
Block first atom: 667
Blocpdb> 37 atoms in block 16
Block first atom: 705
Blocpdb> 45 atoms in block 17
Block first atom: 742
Blocpdb> 50 atoms in block 18
Block first atom: 787
Blocpdb> 38 atoms in block 19
Block first atom: 837
Blocpdb> 36 atoms in block 20
Block first atom: 875
Blocpdb> 48 atoms in block 21
Block first atom: 911
Blocpdb> 53 atoms in block 22
Block first atom: 959
Blocpdb> 43 atoms in block 23
Block first atom: 1012
Blocpdb> 47 atoms in block 24
Block first atom: 1055
Blocpdb> 56 atoms in block 25
Block first atom: 1102
Blocpdb> 41 atoms in block 26
Block first atom: 1158
Blocpdb> 52 atoms in block 27
Block first atom: 1199
Blocpdb> 49 atoms in block 28
Block first atom: 1251
Blocpdb> 45 atoms in block 29
Block first atom: 1300
Blocpdb> 47 atoms in block 30
Block first atom: 1345
Blocpdb> 46 atoms in block 31
Block first atom: 1392
Blocpdb> 53 atoms in block 32
Block first atom: 1438
Blocpdb> 41 atoms in block 33
Block first atom: 1491
Blocpdb> 48 atoms in block 34
Block first atom: 1532
Blocpdb> 50 atoms in block 35
Block first atom: 1580
Blocpdb> 49 atoms in block 36
Block first atom: 1630
Blocpdb> 64 atoms in block 37
Block first atom: 1679
Blocpdb> 37 atoms in block 38
Block first atom: 1743
Blocpdb> 50 atoms in block 39
Block first atom: 1780
Blocpdb> 34 atoms in block 40
Block first atom: 1830
Blocpdb> 54 atoms in block 41
Block first atom: 1864
Blocpdb> 45 atoms in block 42
Block first atom: 1918
Blocpdb> 58 atoms in block 43
Block first atom: 1963
Blocpdb> 42 atoms in block 44
Block first atom: 2021
Blocpdb> 43 atoms in block 45
Block first atom: 2063
Blocpdb> 49 atoms in block 46
Block first atom: 2106
Blocpdb> 47 atoms in block 47
Block first atom: 2155
Blocpdb> 43 atoms in block 48
Block first atom: 2202
Blocpdb> 60 atoms in block 49
Block first atom: 2245
Blocpdb> 42 atoms in block 50
Block first atom: 2305
Blocpdb> 41 atoms in block 51
Block first atom: 2347
Blocpdb> 36 atoms in block 52
Block first atom: 2388
Blocpdb> 51 atoms in block 53
Block first atom: 2424
Blocpdb> 62 atoms in block 54
Block first atom: 2475
Blocpdb> 41 atoms in block 55
Block first atom: 2537
Blocpdb> 57 atoms in block 56
Block first atom: 2578
Blocpdb> 39 atoms in block 57
Block first atom: 2635
Blocpdb> 40 atoms in block 58
Block first atom: 2674
Blocpdb> 37 atoms in block 59
Block first atom: 2714
Blocpdb> 57 atoms in block 60
Block first atom: 2751
Blocpdb> 43 atoms in block 61
Block first atom: 2808
Blocpdb> 49 atoms in block 62
Block first atom: 2851
Blocpdb> 48 atoms in block 63
Block first atom: 2900
Blocpdb> 41 atoms in block 64
Block first atom: 2948
Blocpdb> 38 atoms in block 65
Block first atom: 2989
Blocpdb> 58 atoms in block 66
Block first atom: 3027
Blocpdb> 43 atoms in block 67
Block first atom: 3085
Blocpdb> 38 atoms in block 68
Block first atom: 3128
Blocpdb> 37 atoms in block 69
Block first atom: 3166
Blocpdb> 51 atoms in block 70
Block first atom: 3203
Blocpdb> 47 atoms in block 71
Block first atom: 3254
Blocpdb> 49 atoms in block 72
Block first atom: 3301
Blocpdb> 49 atoms in block 73
Block first atom: 3350
Blocpdb> 58 atoms in block 74
Block first atom: 3399
Blocpdb> 58 atoms in block 75
Block first atom: 3457
Blocpdb> 59 atoms in block 76
Block first atom: 3515
Blocpdb> 56 atoms in block 77
Block first atom: 3574
Blocpdb> 58 atoms in block 78
Block first atom: 3630
Blocpdb> 54 atoms in block 79
Block first atom: 3688
Blocpdb> 60 atoms in block 80
Block first atom: 3742
Blocpdb> 38 atoms in block 81
Block first atom: 3802
Blocpdb> 51 atoms in block 82
Block first atom: 3840
Blocpdb> 46 atoms in block 83
Block first atom: 3891
Blocpdb> 34 atoms in block 84
Block first atom: 3937
Blocpdb> 54 atoms in block 85
Block first atom: 3971
Blocpdb> 60 atoms in block 86
Block first atom: 4025
Blocpdb> 38 atoms in block 87
Block first atom: 4085
Blocpdb> 42 atoms in block 88
Block first atom: 4123
Blocpdb> 47 atoms in block 89
Block first atom: 4165
Blocpdb> 44 atoms in block 90
Block first atom: 4212
Blocpdb> 48 atoms in block 91
Block first atom: 4256
Blocpdb> 41 atoms in block 92
Block first atom: 4304
Blocpdb> 49 atoms in block 93
Block first atom: 4345
Blocpdb> 60 atoms in block 94
Block first atom: 4394
Blocpdb> 35 atoms in block 95
Block first atom: 4454
Blocpdb> 50 atoms in block 96
Block first atom: 4489
Blocpdb> 38 atoms in block 97
Block first atom: 4539
Blocpdb> 62 atoms in block 98
Block first atom: 4577
Blocpdb> 51 atoms in block 99
Block first atom: 4639
Blocpdb> 33 atoms in block 100
Block first atom: 4690
Blocpdb> 59 atoms in block 101
Block first atom: 4723
Blocpdb> 43 atoms in block 102
Block first atom: 4782
Blocpdb> 50 atoms in block 103
Block first atom: 4825
Blocpdb> 55 atoms in block 104
Block first atom: 4875
Blocpdb> 54 atoms in block 105
Block first atom: 4930
Blocpdb> 61 atoms in block 106
Block first atom: 4984
Blocpdb> 44 atoms in block 107
Block first atom: 5045
Blocpdb> 48 atoms in block 108
Block first atom: 5089
Blocpdb> 51 atoms in block 109
Block first atom: 5137
Blocpdb> 40 atoms in block 110
Block first atom: 5188
Blocpdb> 58 atoms in block 111
Block first atom: 5228
Blocpdb> 43 atoms in block 112
Block first atom: 5286
Blocpdb> 43 atoms in block 113
Block first atom: 5329
Blocpdb> 43 atoms in block 114
Block first atom: 5372
Blocpdb> 45 atoms in block 115
Block first atom: 5415
Blocpdb> 46 atoms in block 116
Block first atom: 5460
Blocpdb> 58 atoms in block 117
Block first atom: 5506
Blocpdb> 49 atoms in block 118
Block first atom: 5564
Blocpdb> 42 atoms in block 119
Block first atom: 5613
Blocpdb> 57 atoms in block 120
Block first atom: 5655
Blocpdb> 42 atoms in block 121
Block first atom: 5712
Blocpdb> 50 atoms in block 122
Block first atom: 5754
Blocpdb> 46 atoms in block 123
Block first atom: 5804
Blocpdb> 43 atoms in block 124
Block first atom: 5850
Blocpdb> 45 atoms in block 125
Block first atom: 5893
Blocpdb> 59 atoms in block 126
Block first atom: 5938
Blocpdb> 49 atoms in block 127
Block first atom: 5997
Blocpdb> 37 atoms in block 128
Block first atom: 6046
Blocpdb> 53 atoms in block 129
Block first atom: 6083
Blocpdb> 28 atoms in block 130
Block first atom: 6136
Blocpdb> 50 atoms in block 131
Block first atom: 6164
Blocpdb> 54 atoms in block 132
Block first atom: 6214
Blocpdb> 49 atoms in block 133
Block first atom: 6268
Blocpdb> 40 atoms in block 134
Block first atom: 6317
Blocpdb> 48 atoms in block 135
Block first atom: 6357
Blocpdb> 47 atoms in block 136
Block first atom: 6405
Blocpdb> 54 atoms in block 137
Block first atom: 6452
Blocpdb> 42 atoms in block 138
Block first atom: 6506
Blocpdb> 22 atoms in block 139
Block first atom: 6548
Blocpdb> 45 atoms in block 140
Block first atom: 6570
Blocpdb> 41 atoms in block 141
Block first atom: 6615
Blocpdb> 63 atoms in block 142
Block first atom: 6656
Blocpdb> 39 atoms in block 143
Block first atom: 6719
Blocpdb> 54 atoms in block 144
Block first atom: 6758
Blocpdb> 46 atoms in block 145
Block first atom: 6812
Blocpdb> 51 atoms in block 146
Block first atom: 6858
Blocpdb> 45 atoms in block 147
Block first atom: 6909
Blocpdb> 53 atoms in block 148
Block first atom: 6954
Blocpdb> 47 atoms in block 149
Block first atom: 7007
Blocpdb> 57 atoms in block 150
Block first atom: 7054
Blocpdb> 54 atoms in block 151
Block first atom: 7111
Blocpdb> 46 atoms in block 152
Block first atom: 7165
Blocpdb> 38 atoms in block 153
Block first atom: 7211
Blocpdb> 58 atoms in block 154
Block first atom: 7249
Blocpdb> 38 atoms in block 155
Block first atom: 7307
Blocpdb> 48 atoms in block 156
Block first atom: 7345
Blocpdb> 63 atoms in block 157
Block first atom: 7393
Blocpdb> 57 atoms in block 158
Block first atom: 7456
Blocpdb> 30 atoms in block 159
Block first atom: 7513
Blocpdb> 58 atoms in block 160
Block first atom: 7543
Blocpdb> 43 atoms in block 161
Block first atom: 7601
Blocpdb> 43 atoms in block 162
Block first atom: 7644
Blocpdb> 49 atoms in block 163
Block first atom: 7687
Blocpdb> 58 atoms in block 164
Block first atom: 7736
Blocpdb> 54 atoms in block 165
Block first atom: 7794
Blocpdb> 54 atoms in block 166
Block first atom: 7848
Blocpdb> 42 atoms in block 167
Block first atom: 7902
Blocpdb> 38 atoms in block 168
Block first atom: 7944
Blocpdb> 40 atoms in block 169
Block first atom: 7982
Blocpdb> 34 atoms in block 170
Block first atom: 8022
Blocpdb> 38 atoms in block 171
Block first atom: 8056
Blocpdb> 44 atoms in block 172
Block first atom: 8094
Blocpdb> 35 atoms in block 173
Block first atom: 8138
Blocpdb> 49 atoms in block 174
Block first atom: 8173
Blocpdb> 33 atoms in block 175
Block first atom: 8222
Blocpdb> 42 atoms in block 176
Block first atom: 8255
Blocpdb> 51 atoms in block 177
Block first atom: 8297
Blocpdb> 43 atoms in block 178
Block first atom: 8348
Blocpdb> 42 atoms in block 179
Block first atom: 8391
Blocpdb> 40 atoms in block 180
Block first atom: 8433
Blocpdb> 49 atoms in block 181
Block first atom: 8473
Blocpdb> 52 atoms in block 182
Block first atom: 8522
Blocpdb> 42 atoms in block 183
Block first atom: 8574
Blocpdb> 29 atoms in block 184
Block first atom: 8615
Blocpdb> 184 blocks.
Blocpdb> At most, 64 atoms in each of them.
Blocpdb> At least, 22 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> 6190069 matrix lines read.
Prepmat> Matrix order = 25932
Prepmat> Matrix trace = 13642380.0000
Prepmat> Last element read: 25932 25932 200.4394
Prepmat> 17021 lines saved.
Prepmat> 14933 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: 8644
RTB> Total mass = 8644.0000
RTB> Number of atoms found in matrix: 8644
RTB> Number of blocks = 184
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 451849.3935
RTB> 72372 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 = 1104
Diagstd> Nb of non-zero elements: 72372
Diagstd> Projected matrix trace = 451849.3935
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1104 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 451849.3935
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 1.0224261 1.6017422 3.0079615 3.9775707
4.1983510 5.1767597 5.5071913 6.4697295 6.9266955
7.3688816 8.1986101 9.2279673 9.7453535 11.1633260
11.5302576 13.1029810 13.3258871 15.7578204 16.0087915
16.9683686 18.2497982 18.3700728 18.8519317 20.4592505
20.9394950 22.0798824 22.4559775 23.3466503 24.1442551
24.7652626 25.5656552 26.6441691 27.3540114 28.2311109
30.1115550 30.7554509 31.2622706 31.6580148 32.7086321
35.2726302 35.6004952 36.8726819 37.1607092 37.5713506
38.4639082 39.3980871 39.5991998 41.2081280 42.5391676
42.8371852 43.9560483 45.2013621 46.3928897 47.4620679
48.0322191 49.2329064 50.9897203 51.8460245 52.0736620
53.8406679 54.6606653 55.6765853 56.5258304 57.1220100
58.1972449 59.6496927 59.8662211 61.9270295 62.2315966
63.6140110 65.4234412 66.5668527 67.4342366 68.9304389
69.8626298 70.1167214 70.7295536 71.4325718 72.3052142
73.2473334 74.3728931 74.5489728 75.7978074 76.5757822
77.7158862 78.4018561 79.2315300 80.4560606 81.1062136
81.9977028 83.2510754 84.3224164 84.5066865 85.8613202
86.1250330 86.8012571 87.5382720 88.4932592 89.8056666
91.2818319
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034298 0.0034301 0.0034306 0.0034316 0.0034333
0.0034342 109.8022522 137.4331770 188.3351657 216.5729605
222.5023749 247.0724283 254.8357544 276.2093284 285.7974367
294.7786806 310.9319823 329.8741648 338.9956144 362.8207224
368.7353583 393.0794471 396.4088526 431.0655872 434.4847670
447.3169190 463.8999375 465.4260841 471.4907844 491.1793957
496.9107384 510.2625069 514.5899056 524.6957775 533.5832469
540.4017523 549.0649789 560.5267858 567.9443613 576.9780135
595.8842030 602.2216017 607.1633368 610.9942443 621.0498643
644.9324114 647.9228555 659.3980274 661.9684289 665.6158943
673.4757843 681.6051268 683.3425838 697.0865820 708.2552036
710.7317936 719.9537549 730.0809916 739.6410261 748.1154235
752.5954810 761.9439370 775.4192801 781.9032365 783.6178859
796.8021545 802.8469037 810.2733891 816.4296260 820.7237868
828.4122132 838.6859845 840.2068208 854.5459190 856.6447385
866.1072423 878.3386069 885.9807630 891.7343640 901.5728026
907.6486058 909.2976748 913.2627389 917.7902155 923.3792028
929.3754360 936.4888653 937.5967909 945.4174231 950.2568329
957.3046799 961.5202887 966.5944595 974.0352238 977.9628190
983.3228316 990.8096013 997.1644846 998.2534434 1006.2225857
1007.7666469 1011.7152302 1016.0013032 1021.5282361 1029.0752913
1037.4984435
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 8644
Rtb_to_modes> Number of blocs = 184
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: 9.9758E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9773E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9806E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9861E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9960E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.022
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.602
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 3.008
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.978
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.198
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.177
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.507
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.470
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 6.927
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 7.369
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 8.199
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 9.228
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.745
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 11.16
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 11.53
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.10
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.33
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 15.76
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.01
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.97
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 18.25
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 18.37
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 18.85
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.46
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 20.94
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 22.08
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 22.46
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 23.35
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 24.14
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 24.77
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 25.57
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 26.64
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 27.35
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 28.23
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 30.11
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 30.76
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 31.26
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 31.66
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 32.71
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 35.27
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 35.60
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 36.87
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 37.16
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 37.57
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 38.46
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 39.40
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 39.60
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 41.21
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 42.54
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 42.84
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 43.96
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 45.20
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 46.39
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 47.46
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 48.03
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 49.23
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 50.99
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 51.85
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 52.07
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 53.84
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 54.66
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 55.68
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 56.53
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 57.12
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 58.20
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 59.65
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 59.87
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 61.93
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 62.23
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 63.61
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 65.42
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 66.57
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 67.43
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 68.93
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 69.86
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 70.12
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 70.73
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 71.43
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 72.31
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 73.25
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 74.37
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 74.55
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 75.80
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 76.58
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 77.72
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 78.40
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 79.23
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 80.46
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 81.11
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 82.00
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 83.25
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 84.32
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 84.51
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 85.86
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 86.13
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 86.80
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 87.54
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 88.49
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 89.81
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 91.28
Rtb_to_modes> 106 vectors, with 1104 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000 1.00001 1.00000 1.00001 0.99998
1.00000 1.00002 0.99998 1.00002 1.00000
1.00001 1.00002 0.99999 1.00000 1.00000
0.99999 0.99999 1.00000 0.99997 0.99998
0.99997 1.00001 1.00001 0.99997 0.99999
1.00000 1.00001 0.99999 0.99999 1.00001
1.00002 1.00003 1.00003 1.00001 1.00003
1.00000 0.99999 1.00002 1.00000 0.99999
1.00001 1.00001 0.99997 0.99998 1.00000
1.00000 1.00000 1.00001 1.00001 1.00001
1.00001 1.00002 1.00001 1.00000 1.00002
1.00000 1.00000 0.99998 0.99996 0.99998
1.00001 0.99999 1.00003 0.99997 1.00000
1.00000 0.99999 1.00000 1.00000 0.99998
1.00001 1.00000 1.00001 1.00000 1.00002
1.00002 1.00001 0.99999 1.00004 0.99999
0.99998 0.99999 1.00002 1.00000 0.99998
1.00002 0.99997 1.00001 0.99997 0.99998
1.00000 0.99997 1.00002 1.00001 1.00000
0.99998 1.00003 1.00000 0.99997 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 155592 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00001 1.00000 1.00000 0.99999
1.00000 1.00001 1.00000 1.00001 0.99998
1.00000 1.00002 0.99998 1.00002 1.00000
1.00001 1.00002 0.99999 1.00000 1.00000
0.99999 0.99999 1.00000 0.99997 0.99998
0.99997 1.00001 1.00001 0.99997 0.99999
1.00000 1.00001 0.99999 0.99999 1.00001
1.00002 1.00003 1.00003 1.00001 1.00003
1.00000 0.99999 1.00002 1.00000 0.99999
1.00001 1.00001 0.99997 0.99998 1.00000
1.00000 1.00000 1.00001 1.00001 1.00001
1.00001 1.00002 1.00001 1.00000 1.00002
1.00000 1.00000 0.99998 0.99996 0.99998
1.00001 0.99999 1.00003 0.99997 1.00000
1.00000 0.99999 1.00000 1.00000 0.99998
1.00001 1.00000 1.00001 1.00000 1.00002
1.00002 1.00001 0.99999 1.00004 0.99999
0.99998 0.99999 1.00002 1.00000 0.99998
1.00002 0.99997 1.00001 0.99997 0.99998
1.00000 0.99997 1.00002 1.00001 1.00000
0.99998 1.00003 1.00000 0.99997 0.99999
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000-0.000
Vector 4:-0.000-0.000-0.000
Vector 5:-0.000 0.000 0.000 0.000
Vector 6: 0.000 0.000-0.000-0.000-0.000
Vector 7:-0.000 0.000 0.000-0.000-0.000-0.000
Vector 8:-0.000-0.000-0.000 0.000-0.000-0.000 0.000
Vector 9: 0.000-0.000-0.000 0.000-0.000 0.000-0.000 0.000
Vector 10:-0.000-0.000 0.000-0.000 0.000 0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2607191900252545021.eigenfacs
Openam> file on opening on unit 10:
2607191900252545021.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2607191900252545021.atom
Openam> file on opening on unit 11:
2607191900252545021.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 = 548
First residue number = 5
Last residue number = 80
Number of atoms found = 8644
Mean number per residue = 15.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9758E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9773E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9806E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9861E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9960E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.022
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 3.008
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.978
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.177
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.507
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 6.927
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 7.369
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 8.199
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 9.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.745
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 11.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 11.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 15.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 18.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 18.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 18.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 20.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 22.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 22.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 23.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 24.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 24.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 25.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 26.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 27.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 28.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 30.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 30.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 31.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 31.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 32.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 35.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 35.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 36.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 37.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 37.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 38.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 39.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 39.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 41.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 42.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 42.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 43.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 45.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 46.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 47.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 48.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 49.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 50.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 51.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 52.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 53.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 54.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 55.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 56.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 57.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 58.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 59.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 59.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 61.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 62.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 63.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 65.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 66.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 67.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 68.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 69.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 70.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 70.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 71.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 72.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 73.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 74.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 74.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 75.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 76.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 77.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 78.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 79.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 80.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 81.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 82.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 83.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 84.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 84.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 85.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 86.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 86.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 87.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 88.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 89.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 91.28
Bfactors> 106 vectors, 25932 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 : 1.022000
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= -0.263 for 548 C-alpha atoms.
Bfactors> = 0.009 +/- 0.02
Bfactors> = 0.542 +/- 0.09
Bfactors> Shiftng-fct= 0.532
Bfactors> Scaling-fct= 5.632
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2607191900252545021.eigenfacs
Openam> file on opening on unit 10:
2607191900252545021.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4297E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4299E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4305E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4314E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4331E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 109.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 137.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 188.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 216.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 222.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 247.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 254.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 276.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 285.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 294.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 310.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 329.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 339.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 362.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 368.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 393.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 396.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 431.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 434.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 447.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 463.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 465.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 471.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 491.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 496.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 510.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 514.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 524.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 533.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 540.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 549.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 560.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 567.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 576.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 595.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 602.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 607.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 611.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 621.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 644.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 647.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 659.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 661.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 665.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 673.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 681.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 683.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 697.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 708.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 710.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 720.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 730.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 739.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 748.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 752.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 761.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 775.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 781.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 783.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 796.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 802.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 810.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 816.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 820.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 828.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 838.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 840.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 854.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 856.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 866.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 878.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 886.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 891.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 901.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 907.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 909.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 913.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 917.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 923.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 929.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 936.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 937.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 945.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 950.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 957.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 961.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 966.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 974.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 977.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 983.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 990.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 997.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 998.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 1006.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 1008.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 1012.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 1016.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 1021.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 1029.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 1037.
Chkmod> 106 vectors, 25932 coordinates in file.
Chkmod> That is: 8644 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 0.9785
0.0034 0.7794
0.0034 0.8448
0.0034 0.8269
0.0034 0.6578
0.0034 0.8032
109.7747 0.2439
137.4383 0.3089
188.3283 0.1850
216.5754 0.0742
222.4835 0.0937
247.0676 0.1062
254.8204 0.2714
276.2032 0.2648
285.7914 0.2152
294.7684 0.3061
310.9260 0.2981
329.8606 0.3862
338.9749 0.3162
362.7511 0.1807
368.7154 0.0967
393.0179 0.2926
396.4530 0.3502
431.0769 0.3789
434.4825 0.4392
447.3192 0.2630
463.8826 0.3319
465.4052 0.2040
471.4464 0.1140
491.1673 0.3793
496.8954 0.3631
510.2420 0.2714
514.6139 0.3272
524.7109 0.4654
533.5133 0.1581
540.4302 0.2636
549.0881 0.2859
560.4589 0.3152
567.8783 0.5815
576.9419 0.4380
595.8432 0.3712
602.2403 0.3934
607.1152 0.1259
610.9872 0.3578
621.0362 0.2759
644.8807 0.3940
647.8905 0.4022
659.3457 0.2859
661.9337 0.4431
665.5754 0.3623
673.4127 0.3236
681.5924 0.1997
683.3202 0.2934
697.0725 0.3960
708.2317 0.4004
710.7246 0.2898
719.9552 0.2758
730.0387 0.3891
739.5862 0.3570
748.0670 0.3667
752.5458 0.4051
761.8887 0.4639
775.3881 0.2354
781.8996 0.2361
783.5567 0.3252
796.7630 0.3857
802.8076 0.5395
810.2635 0.3682
816.4247 0.4385
820.6741 0.3321
828.3963 0.4550
838.6521 0.3312
840.1973 0.3379
854.5297 0.4125
856.5970 0.2429
866.0428 0.3956
878.2778 0.4314
885.9637 0.4353
891.6681 0.3604
901.5312 0.3118
907.5926 0.3942
909.2799 0.3745
913.2264 0.3573
917.7343 0.2271
923.3701 0.3254
929.3525 0.3682
936.4305 0.3557
937.5630 0.1955
945.3905 0.2904
950.2422 0.3531
957.2889 0.3328
961.4676 0.2766
966.5436 0.4123
974.0173 0.4121
977.9437 0.5067
983.2944 0.3824
990.7607 0.2581
997.1074 0.3636
998.2302 0.3399
1006.1717 0.3970
1007.7524 0.3573
1011.6645 0.3420
1015.9677 0.4515
1021.4656 0.3323
1029.0559 0.4548
1037.4435 0.2597
getting mode 7
running: ../../bin/get_modes.sh 2607191900252545021 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.7.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 2607191900252545021.7.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 2607191900252545021.7.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 2607191900252545021 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.8.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 2607191900252545021.8.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 2607191900252545021.8.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 2607191900252545021 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.9.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 2607191900252545021.9.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 2607191900252545021.9.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 2607191900252545021 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.10.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 2607191900252545021.10.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 2607191900252545021.10.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 2607191900252545021 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.11.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 2607191900252545021.11.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 2607191900252545021.11.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 2607191900252545021 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.12.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 2607191900252545021.12.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 2607191900252545021.12.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 2607191900252545021 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.13.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 2607191900252545021.13.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 2607191900252545021.13.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 2607191900252545021 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.14.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 2607191900252545021.14.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 2607191900252545021.14.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 2607191900252545021 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.15.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 2607191900252545021.15.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 2607191900252545021.15.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 2607191900252545021 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.16.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 2607191900252545021.16.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 2607191900252545021.16.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 2607191900252545021 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.17.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 2607191900252545021.17.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 2607191900252545021.17.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 2607191900252545021 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.18.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 2607191900252545021.18.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 2607191900252545021.18.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 2607191900252545021 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.19.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 2607191900252545021.19.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 2607191900252545021.19.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 2607191900252545021 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.20.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 2607191900252545021.20.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 2607191900252545021.20.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 2607191900252545021 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.21.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 2607191900252545021.21.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 2607191900252545021.21.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 2607191900252545021 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.22.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 2607191900252545021.22.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 2607191900252545021.22.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 2607191900252545021 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.23.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 2607191900252545021.23.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 2607191900252545021.23.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 2607191900252545021 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.24.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 2607191900252545021.24.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 2607191900252545021.24.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 2607191900252545021 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.25.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 2607191900252545021.25.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 2607191900252545021.25.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 2607191900252545021 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.26.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 2607191900252545021.26.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 2607191900252545021.26.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 2607191900252545021 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.27.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 2607191900252545021.27.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 2607191900252545021.27.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 2607191900252545021 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.28.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 2607191900252545021.28.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 2607191900252545021.28.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 2607191900252545021 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.29.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 2607191900252545021.29.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 2607191900252545021.29.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 2607191900252545021 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.30.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 2607191900252545021.30.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 2607191900252545021.30.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 2607191900252545021 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=-20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=0
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=20
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=40
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=60
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=80
2607191900252545021.eigenfacs
2607191900252545021.atom
calculating perturbed structure for DQ=100
2607191900252545021.eigenfacs
2607191900252545021.atom
making animated gifs
11 models are in 2607191900252545021.31.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 2607191900252545021.31.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 2607191900252545021.31.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
2607191900252545021.10.pdb
2607191900252545021.11.pdb
2607191900252545021.12.pdb
2607191900252545021.13.pdb
2607191900252545021.14.pdb
2607191900252545021.15.pdb
2607191900252545021.16.pdb
2607191900252545021.17.pdb
2607191900252545021.18.pdb
2607191900252545021.19.pdb
2607191900252545021.20.pdb
2607191900252545021.21.pdb
2607191900252545021.22.pdb
2607191900252545021.23.pdb
2607191900252545021.24.pdb
2607191900252545021.25.pdb
2607191900252545021.26.pdb
2607191900252545021.27.pdb
2607191900252545021.28.pdb
2607191900252545021.29.pdb
2607191900252545021.30.pdb
2607191900252545021.31.pdb
2607191900252545021.7.pdb
2607191900252545021.8.pdb
2607191900252545021.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m15.223s
user 1m14.779s
sys 0m0.413s
rm: cannot remove '2607191900252545021.sdijf': No such file or directory
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
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