***  MEMBRANE PROTEIN/METAL TRANSPORT 23-DEC-11 3V8X  ***
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 = 2401051809213978599.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 2401051809213978599.atom to be opened.
Openam> File opened: 2401051809213978599.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 = 1529
First residue number = 54
Last residue number = 679
Number of atoms found = 11736
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 4.997710 +/- 21.961421 From: -38.745000 To: 63.244000
= 0.185286 +/- 12.788879 From: -29.482000 To: 36.167000
= 44.576050 +/- 32.361663 From: -21.863000 To: 110.513000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 0.7256 % Filled.
Pdbmat> 4497677 non-zero elements.
Pdbmat> 491999 atom-atom interactions.
Pdbmat> Number per atom= 83.84 +/- 21.15
Maximum number = 137
Minimum number = 13
Pdbmat> Matrix trace = 9.839980E+06
Pdbmat> Larger element = 496.407
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1529 non-zero elements, NRBL set to 8
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 = 2401051809213978599.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 8
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 2401051809213978599.atom to be opened.
Openam> file on opening on unit 11:
2401051809213978599.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 11736 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 8 residue(s) per block.
Blocpdb> 1529 residues.
Blocpdb> 56 atoms in block 1
Block first atom: 1
Blocpdb> 57 atoms in block 2
Block first atom: 57
Blocpdb> 69 atoms in block 3
Block first atom: 114
Blocpdb> 65 atoms in block 4
Block first atom: 183
Blocpdb> 60 atoms in block 5
Block first atom: 248
Blocpdb> 51 atoms in block 6
Block first atom: 308
Blocpdb> 66 atoms in block 7
Block first atom: 359
Blocpdb> 53 atoms in block 8
Block first atom: 425
Blocpdb> 65 atoms in block 9
Block first atom: 478
Blocpdb> 51 atoms in block 10
Block first atom: 543
Blocpdb> 46 atoms in block 11
Block first atom: 594
Blocpdb> 71 atoms in block 12
Block first atom: 640
Blocpdb> 54 atoms in block 13
Block first atom: 711
Blocpdb> 53 atoms in block 14
Block first atom: 765
Blocpdb> 51 atoms in block 15
Block first atom: 818
Blocpdb> 60 atoms in block 16
Block first atom: 869
Blocpdb> 59 atoms in block 17
Block first atom: 929
Blocpdb> 62 atoms in block 18
Block first atom: 988
Blocpdb> 60 atoms in block 19
Block first atom: 1050
Blocpdb> 55 atoms in block 20
Block first atom: 1110
Blocpdb> 51 atoms in block 21
Block first atom: 1165
Blocpdb> 61 atoms in block 22
Block first atom: 1216
Blocpdb> 60 atoms in block 23
Block first atom: 1277
Blocpdb> 61 atoms in block 24
Block first atom: 1337
Blocpdb> 58 atoms in block 25
Block first atom: 1398
Blocpdb> 72 atoms in block 26
Block first atom: 1456
Blocpdb> 63 atoms in block 27
Block first atom: 1528
Blocpdb> 60 atoms in block 28
Block first atom: 1591
Blocpdb> 61 atoms in block 29
Block first atom: 1651
Blocpdb> 60 atoms in block 30
Block first atom: 1712
Blocpdb> 68 atoms in block 31
Block first atom: 1772
Blocpdb> 61 atoms in block 32
Block first atom: 1840
Blocpdb> 72 atoms in block 33
Block first atom: 1901
Blocpdb> 73 atoms in block 34
Block first atom: 1973
Blocpdb> 63 atoms in block 35
Block first atom: 2046
Blocpdb> 69 atoms in block 36
Block first atom: 2109
Blocpdb> 61 atoms in block 37
Block first atom: 2178
Blocpdb> 60 atoms in block 38
Block first atom: 2239
Blocpdb> 57 atoms in block 39
Block first atom: 2299
Blocpdb> 54 atoms in block 40
Block first atom: 2356
Blocpdb> 65 atoms in block 41
Block first atom: 2410
Blocpdb> 53 atoms in block 42
Block first atom: 2475
Blocpdb> 52 atoms in block 43
Block first atom: 2528
Blocpdb> 73 atoms in block 44
Block first atom: 2580
Blocpdb> 69 atoms in block 45
Block first atom: 2653
Blocpdb> 64 atoms in block 46
Block first atom: 2722
Blocpdb> 69 atoms in block 47
Block first atom: 2786
Blocpdb> 63 atoms in block 48
Block first atom: 2855
Blocpdb> 72 atoms in block 49
Block first atom: 2918
Blocpdb> 52 atoms in block 50
Block first atom: 2990
Blocpdb> 64 atoms in block 51
Block first atom: 3042
Blocpdb> 71 atoms in block 52
Block first atom: 3106
Blocpdb> 67 atoms in block 53
Block first atom: 3177
Blocpdb> 66 atoms in block 54
Block first atom: 3244
Blocpdb> 34 atoms in block 55
Block first atom: 3310
Blocpdb> 54 atoms in block 56
Block first atom: 3344
Blocpdb> 65 atoms in block 57
Block first atom: 3398
Blocpdb> 72 atoms in block 58
Block first atom: 3463
Blocpdb> 72 atoms in block 59
Block first atom: 3535
Blocpdb> 62 atoms in block 60
Block first atom: 3607
Blocpdb> 59 atoms in block 61
Block first atom: 3669
Blocpdb> 59 atoms in block 62
Block first atom: 3728
Blocpdb> 63 atoms in block 63
Block first atom: 3787
Blocpdb> 59 atoms in block 64
Block first atom: 3850
Blocpdb> 62 atoms in block 65
Block first atom: 3909
Blocpdb> 57 atoms in block 66
Block first atom: 3971
Blocpdb> 67 atoms in block 67
Block first atom: 4028
Blocpdb> 71 atoms in block 68
Block first atom: 4095
Blocpdb> 52 atoms in block 69
Block first atom: 4166
Blocpdb> 83 atoms in block 70
Block first atom: 4218
Blocpdb> 50 atoms in block 71
Block first atom: 4301
Blocpdb> 71 atoms in block 72
Block first atom: 4351
Blocpdb> 55 atoms in block 73
Block first atom: 4422
Blocpdb> 76 atoms in block 74
Block first atom: 4477
Blocpdb> 61 atoms in block 75
Block first atom: 4553
Blocpdb> 69 atoms in block 76
Block first atom: 4614
Blocpdb> 56 atoms in block 77
Block first atom: 4683
Blocpdb> 63 atoms in block 78
Block first atom: 4739
Blocpdb> 61 atoms in block 79
Block first atom: 4802
Blocpdb> 63 atoms in block 80
Block first atom: 4863
Blocpdb> 66 atoms in block 81
Block first atom: 4926
Blocpdb> 69 atoms in block 82
Block first atom: 4992
Blocpdb> 61 atoms in block 83
Block first atom: 5061
Blocpdb> 56 atoms in block 84
Block first atom: 5122
Blocpdb> 58 atoms in block 85
Block first atom: 5178
Blocpdb> 62 atoms in block 86
Block first atom: 5236
Blocpdb> 59 atoms in block 87
Block first atom: 5298
Blocpdb> 75 atoms in block 88
Block first atom: 5357
Blocpdb> 72 atoms in block 89
Block first atom: 5432
Blocpdb> 67 atoms in block 90
Block first atom: 5504
Blocpdb> 65 atoms in block 91
Block first atom: 5571
Blocpdb> 63 atoms in block 92
Block first atom: 5636
Blocpdb> 61 atoms in block 93
Block first atom: 5699
Blocpdb> 58 atoms in block 94
Block first atom: 5760
Blocpdb> 65 atoms in block 95
Block first atom: 5818
Blocpdb> 69 atoms in block 96
Block first atom: 5883
Blocpdb> 61 atoms in block 97
Block first atom: 5952
Blocpdb> 62 atoms in block 98
Block first atom: 6013
Blocpdb> 74 atoms in block 99
Block first atom: 6075
Blocpdb> 62 atoms in block 100
Block first atom: 6149
Blocpdb> 63 atoms in block 101
Block first atom: 6211
Blocpdb> 79 atoms in block 102
Block first atom: 6274
Blocpdb> 72 atoms in block 103
Block first atom: 6353
Blocpdb> 49 atoms in block 104
Block first atom: 6425
Blocpdb> 65 atoms in block 105
Block first atom: 6474
Blocpdb> 63 atoms in block 106
Block first atom: 6539
Blocpdb> 74 atoms in block 107
Block first atom: 6602
Blocpdb> 11 atoms in block 108
Block first atom: 6676
Blocpdb> 56 atoms in block 109
Block first atom: 6687
Blocpdb> 51 atoms in block 110
Block first atom: 6743
Blocpdb> 40 atoms in block 111
Block first atom: 6794
Blocpdb> 49 atoms in block 112
Block first atom: 6834
Blocpdb> 50 atoms in block 113
Block first atom: 6883
Blocpdb> 64 atoms in block 114
Block first atom: 6933
Blocpdb> 53 atoms in block 115
Block first atom: 6997
Blocpdb> 54 atoms in block 116
Block first atom: 7050
Blocpdb> 65 atoms in block 117
Block first atom: 7104
Blocpdb> 56 atoms in block 118
Block first atom: 7169
Blocpdb> 58 atoms in block 119
Block first atom: 7225
Blocpdb> 68 atoms in block 120
Block first atom: 7283
Blocpdb> 61 atoms in block 121
Block first atom: 7351
Blocpdb> 66 atoms in block 122
Block first atom: 7412
Blocpdb> 54 atoms in block 123
Block first atom: 7478
Blocpdb> 63 atoms in block 124
Block first atom: 7532
Blocpdb> 62 atoms in block 125
Block first atom: 7595
Blocpdb> 63 atoms in block 126
Block first atom: 7657
Blocpdb> 58 atoms in block 127
Block first atom: 7720
Blocpdb> 47 atoms in block 128
Block first atom: 7778
Blocpdb> 60 atoms in block 129
Block first atom: 7825
Blocpdb> 50 atoms in block 130
Block first atom: 7885
Blocpdb> 62 atoms in block 131
Block first atom: 7935
Blocpdb> 57 atoms in block 132
Block first atom: 7997
Blocpdb> 50 atoms in block 133
Block first atom: 8054
Blocpdb> 69 atoms in block 134
Block first atom: 8104
Blocpdb> 60 atoms in block 135
Block first atom: 8173
Blocpdb> 71 atoms in block 136
Block first atom: 8233
Blocpdb> 65 atoms in block 137
Block first atom: 8304
Blocpdb> 70 atoms in block 138
Block first atom: 8369
Blocpdb> 58 atoms in block 139
Block first atom: 8439
Blocpdb> 41 atoms in block 140
Block first atom: 8497
Blocpdb> 68 atoms in block 141
Block first atom: 8538
Blocpdb> 61 atoms in block 142
Block first atom: 8606
Blocpdb> 45 atoms in block 143
Block first atom: 8667
Blocpdb> 54 atoms in block 144
Block first atom: 8712
Blocpdb> 56 atoms in block 145
Block first atom: 8766
Blocpdb> 59 atoms in block 146
Block first atom: 8822
Blocpdb> 69 atoms in block 147
Block first atom: 8881
Blocpdb> 64 atoms in block 148
Block first atom: 8950
Blocpdb> 64 atoms in block 149
Block first atom: 9014
Blocpdb> 58 atoms in block 150
Block first atom: 9078
Blocpdb> 65 atoms in block 151
Block first atom: 9136
Blocpdb> 69 atoms in block 152
Block first atom: 9201
Blocpdb> 65 atoms in block 153
Block first atom: 9270
Blocpdb> 54 atoms in block 154
Block first atom: 9335
Blocpdb> 59 atoms in block 155
Block first atom: 9389
Blocpdb> 59 atoms in block 156
Block first atom: 9448
Blocpdb> 54 atoms in block 157
Block first atom: 9507
Blocpdb> 55 atoms in block 158
Block first atom: 9561
Blocpdb> 59 atoms in block 159
Block first atom: 9616
Blocpdb> 66 atoms in block 160
Block first atom: 9675
Blocpdb> 63 atoms in block 161
Block first atom: 9741
Blocpdb> 55 atoms in block 162
Block first atom: 9804
Blocpdb> 64 atoms in block 163
Block first atom: 9859
Blocpdb> 57 atoms in block 164
Block first atom: 9923
Blocpdb> 50 atoms in block 165
Block first atom: 9980
Blocpdb> 65 atoms in block 166
Block first atom: 10030
Blocpdb> 66 atoms in block 167
Block first atom: 10095
Blocpdb> 69 atoms in block 168
Block first atom: 10161
Blocpdb> 50 atoms in block 169
Block first atom: 10230
Blocpdb> 53 atoms in block 170
Block first atom: 10280
Blocpdb> 50 atoms in block 171
Block first atom: 10333
Blocpdb> 65 atoms in block 172
Block first atom: 10383
Blocpdb> 60 atoms in block 173
Block first atom: 10448
Blocpdb> 57 atoms in block 174
Block first atom: 10508
Blocpdb> 67 atoms in block 175
Block first atom: 10565
Blocpdb> 56 atoms in block 176
Block first atom: 10632
Blocpdb> 63 atoms in block 177
Block first atom: 10688
Blocpdb> 69 atoms in block 178
Block first atom: 10751
Blocpdb> 61 atoms in block 179
Block first atom: 10820
Blocpdb> 67 atoms in block 180
Block first atom: 10881
Blocpdb> 58 atoms in block 181
Block first atom: 10948
Blocpdb> 65 atoms in block 182
Block first atom: 11006
Blocpdb> 68 atoms in block 183
Block first atom: 11071
Blocpdb> 65 atoms in block 184
Block first atom: 11139
Blocpdb> 57 atoms in block 185
Block first atom: 11204
Blocpdb> 67 atoms in block 186
Block first atom: 11261
Blocpdb> 69 atoms in block 187
Block first atom: 11328
Blocpdb> 61 atoms in block 188
Block first atom: 11397
Blocpdb> 76 atoms in block 189
Block first atom: 11458
Blocpdb> 62 atoms in block 190
Block first atom: 11534
Blocpdb> 46 atoms in block 191
Block first atom: 11596
Blocpdb> 55 atoms in block 192
Block first atom: 11642
Blocpdb> 40 atoms in block 193
Block first atom: 11696
Blocpdb> 193 blocks.
Blocpdb> At most, 83 atoms in each of them.
Blocpdb> At least, 11 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> 4497870 matrix lines read.
Prepmat> Matrix order = 35208
Prepmat> Matrix trace = 9839980.0000
Prepmat> Last element read: 35208 35208 124.5990
Prepmat> 18722 lines saved.
Prepmat> 17047 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: 11736
RTB> Total mass = 11736.0000
RTB> Number of atoms found in matrix: 11736
RTB> Number of blocks = 193
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 212321.8940
RTB> 57369 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 = 1158
Diagstd> Nb of non-zero elements: 57369
Diagstd> Projected matrix trace = 212321.8940
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1158 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 212321.8940
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.1623373 0.2556387 0.3752603 0.7989848
0.9832772 1.1110138 1.6659195 1.9200237 2.1596416
2.3220822 2.6981651 2.8095739 3.4840374 3.7337098
3.7693353 4.6388498 5.0880882 5.8993605 6.2758736
6.8913775 7.0211590 7.2104915 7.6362763 7.9826990
8.9543102 9.4897578 9.5576331 9.9099994 10.2694762
10.9040244 11.0265662 11.6528605 12.1189944 12.3117152
12.9945897 13.1194948 13.6969087 14.0805072 14.2536743
14.7674934 15.5531256 15.5879838 16.1653480 16.3694925
16.8958019 17.6739811 17.7472389 18.0363275 18.3719949
18.8728460 19.4221576 19.5716999 19.6847652 20.1040592
20.6989705 21.2494155 21.5428421 21.8995697 22.0901072
22.3678731 22.7344265 22.8766022 23.8531232 24.0502845
24.7337933 25.4590660 25.5258495 25.8316228 26.1196014
26.3619314 26.7851365 26.8873971 27.4631290 27.7377512
28.2457029 28.6542985 28.9279174 29.1931601 29.5458726
30.1046642 30.3680995 30.9625151 31.0468888 31.2760014
31.8218357 32.0345639 32.5788084 32.9132024 33.2473780
33.5524219 34.3044177 34.4298295 35.1171036 35.2424357
35.7500917 35.9763359 36.6429998 36.6895941 37.2184921
37.6809133
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034314 0.0034330 0.0034331 0.0034339 0.0034347
0.0034356 43.7526520 54.9045792 66.5214339 97.0654198
107.6795582 114.4603345 140.1594196 150.4695318 159.5828160
165.4756407 178.3731725 182.0184920 202.6920356 209.8290231
210.8276972 233.8839596 244.9472651 263.7532073 272.0397546
285.0678886 287.7396329 291.5934173 300.0793412 306.8104568
324.9461133 334.5205832 335.7147776 341.8472525 347.9921333
358.5821666 360.5914507 370.6905834 378.0320083 381.0259551
391.4502414 393.3270693 401.8894081 407.4782472 409.9762468
417.3002768 428.2566546 428.7362972 436.6040992 439.3522839
446.3593997 456.5228015 457.4679547 461.1788014 465.4504321
471.7522479 478.5683988 480.4072518 481.7929050 486.8970656
494.0485770 500.5745607 504.0188507 508.1747371 510.3806399
513.5794358 517.7704753 519.3869589 530.3565128 532.5438694
540.0582984 547.9191933 548.6373654 551.9136380 554.9815590
557.5500932 562.0076306 563.0794283 569.0760247 571.9142325
577.1271073 581.2864110 584.0551594 586.7266763 590.2604580
595.8160173 598.4172271 604.2454596 605.0681928 607.2966591
612.5730618 614.6171701 619.8161357 622.9889595 626.1436506
629.0095182 636.0193173 637.1808518 643.5089990 644.6563108
649.2827435 651.3339938 657.3411049 657.7589010 662.4828919
666.5856966
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 11736
Rtb_to_modes> Number of blocs = 193
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: 9.9849E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9947E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.1623
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.2556
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.3753
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.7990
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.9833
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.111
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.666
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 1.920
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.160
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2.322
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2.698
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2.810
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 3.484
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 3.734
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 3.769
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 4.639
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 5.088
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 5.899
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 6.276
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 6.891
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 7.021
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 7.210
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 7.636
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 7.983
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 8.954
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 9.490
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 9.558
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 9.910
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 10.27
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 10.90
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 11.03
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 11.65
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 12.12
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 12.31
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 12.99
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 13.12
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 13.70
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 14.08
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 14.25
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 14.77
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 15.55
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 15.59
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 16.17
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 16.37
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 16.90
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 17.67
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 17.75
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 18.04
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 18.37
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 18.87
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 19.42
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 19.57
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 19.68
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 20.10
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 20.70
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 21.25
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 21.54
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 21.90
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 22.09
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 22.37
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 22.73
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 22.88
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 23.85
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 24.05
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 24.73
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 25.46
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 25.53
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 25.83
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 26.12
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 26.36
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 26.79
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 26.89
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 27.46
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 27.74
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 28.25
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 28.65
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 28.93
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 29.19
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 29.55
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 30.10
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 30.37
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 30.96
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 31.05
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 31.28
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 31.82
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 32.03
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 32.58
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 32.91
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 33.25
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 33.55
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 34.30
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 34.43
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 35.12
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 35.24
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 35.75
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 35.98
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 36.64
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 36.69
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 37.22
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 37.68
Rtb_to_modes> 106 vectors, with 1158 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00001 0.99999 0.99998 1.00002
1.00001 0.99997 0.99999 1.00003 0.99998
0.99997 1.00000 1.00002 1.00001 0.99998
1.00003 1.00000 0.99998 1.00000 1.00001
0.99999 1.00001 0.99999 0.99997 1.00000
1.00001 1.00002 0.99999 1.00000 0.99999
1.00002 1.00000 1.00000 0.99999 0.99999
0.99999 1.00001 0.99999 1.00001 0.99998
0.99999 1.00003 0.99999 1.00001 0.99999
1.00001 1.00002 0.99998 1.00002 1.00000
0.99998 1.00000 1.00002 1.00001 1.00000
0.99999 1.00000 0.99999 1.00001 0.99998
1.00001 1.00003 1.00001 0.99999 1.00001
0.99999 1.00000 0.99999 1.00001 0.99998
1.00002 0.99998 1.00001 0.99999 0.99999
1.00001 0.99999 0.99999 0.99999 1.00000
1.00001 1.00000 1.00000 0.99999 0.99999
1.00001 0.99997 1.00000 1.00001 0.99997
1.00000 1.00001 0.99999 1.00001 1.00000
1.00000 0.99998 1.00002 0.99998 0.99997
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 211248 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00001 0.99999 0.99998 1.00002
1.00001 0.99997 0.99999 1.00003 0.99998
0.99997 1.00000 1.00002 1.00001 0.99998
1.00003 1.00000 0.99998 1.00000 1.00001
0.99999 1.00001 0.99999 0.99997 1.00000
1.00001 1.00002 0.99999 1.00000 0.99999
1.00002 1.00000 1.00000 0.99999 0.99999
0.99999 1.00001 0.99999 1.00001 0.99998
0.99999 1.00003 0.99999 1.00001 0.99999
1.00001 1.00002 0.99998 1.00002 1.00000
0.99998 1.00000 1.00002 1.00001 1.00000
0.99999 1.00000 0.99999 1.00001 0.99998
1.00001 1.00003 1.00001 0.99999 1.00001
0.99999 1.00000 0.99999 1.00001 0.99998
1.00002 0.99998 1.00001 0.99999 0.99999
1.00001 0.99999 0.99999 0.99999 1.00000
1.00001 1.00000 1.00000 0.99999 0.99999
1.00001 0.99997 1.00000 1.00001 0.99997
1.00000 1.00001 0.99999 1.00001 1.00000
1.00000 0.99998 1.00002 0.99998 0.99997
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000 0.000
Vector 4:-0.000 0.000-0.000
Vector 5: 0.000-0.000-0.000 0.000
Vector 6: 0.000 0.000-0.000 0.000-0.000
Vector 7:-0.000 0.000 0.000-0.000 0.000 0.000
Vector 8: 0.000 0.000-0.000 0.000 0.000 0.000 0.000
Vector 9: 0.000 0.000-0.000 0.000-0.000 0.000 0.000 0.000
Vector 10: 0.000-0.000 0.000-0.000 0.000-0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2401051809213978599.eigenfacs
Openam> file on opening on unit 10:
2401051809213978599.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401051809213978599.atom
Openam> file on opening on unit 11:
2401051809213978599.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 = 1529
First residue number = 54
Last residue number = 679
Number of atoms found = 11736
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9849E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9947E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1623
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2556
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3753
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7990
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9833
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.111
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.666
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 1.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.160
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2.322
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2.698
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2.810
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 3.484
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 3.734
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 3.769
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 4.639
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 5.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 5.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 6.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 6.891
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 7.021
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 7.210
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 7.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 7.983
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 8.954
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 9.490
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 9.558
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 9.910
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 10.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 10.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 11.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 11.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 12.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 12.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 12.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 13.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 14.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 14.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 14.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 15.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 15.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 16.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 16.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 16.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 17.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 17.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 18.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 18.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 18.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 19.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 19.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 19.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 20.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 20.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 21.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 21.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 21.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 22.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 22.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 22.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 22.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 23.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 24.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 24.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 25.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 25.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 25.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 26.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 26.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 26.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 26.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 27.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 27.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 28.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 28.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 28.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 29.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 29.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 30.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 30.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 30.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 31.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 31.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 31.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 32.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 32.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 32.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 33.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 33.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 34.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 34.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 35.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 35.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 35.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 35.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 36.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 36.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 37.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 37.68
Bfactors> 106 vectors, 35208 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.162300
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= 0.693 for 1531 C-alpha atoms.
Bfactors> = 0.034 +/- 0.04
Bfactors> = 77.169 +/- 29.30
Bfactors> Shiftng-fct= 77.135
Bfactors> Scaling-fct= 814.599
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401051809213978599 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.7.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 2401051809213978599.7.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 2401051809213978599.7.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 2401051809213978599 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.8.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 2401051809213978599.8.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 2401051809213978599.8.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 2401051809213978599 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.9.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 2401051809213978599.9.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 2401051809213978599.9.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 2401051809213978599 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.10.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 2401051809213978599.10.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 2401051809213978599.10.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 2401051809213978599 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.11.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 2401051809213978599.11.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 2401051809213978599.11.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 2401051809213978599 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.12.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 2401051809213978599.12.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 2401051809213978599.12.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 2401051809213978599 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.13.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 2401051809213978599.13.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 2401051809213978599.13.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 2401051809213978599 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.14.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 2401051809213978599.14.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 2401051809213978599.14.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 2401051809213978599 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.15.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 2401051809213978599.15.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 2401051809213978599.15.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 2401051809213978599 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.16.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 2401051809213978599.16.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 2401051809213978599.16.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 2401051809213978599 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.17.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 2401051809213978599.17.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 2401051809213978599.17.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 2401051809213978599 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.18.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 2401051809213978599.18.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 2401051809213978599.18.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 2401051809213978599 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.19.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 2401051809213978599.19.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 2401051809213978599.19.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 2401051809213978599 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.20.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 2401051809213978599.20.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 2401051809213978599.20.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 2401051809213978599 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.21.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 2401051809213978599.21.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 2401051809213978599.21.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 2401051809213978599 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.22.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 2401051809213978599.22.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 2401051809213978599.22.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 2401051809213978599 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.23.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 2401051809213978599.23.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 2401051809213978599.23.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 2401051809213978599 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.24.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 2401051809213978599.24.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 2401051809213978599.24.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 2401051809213978599 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.25.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 2401051809213978599.25.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 2401051809213978599.25.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 2401051809213978599 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.26.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 2401051809213978599.26.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 2401051809213978599.26.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 2401051809213978599 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.27.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 2401051809213978599.27.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 2401051809213978599.27.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 2401051809213978599 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.28.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 2401051809213978599.28.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 2401051809213978599.28.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 2401051809213978599 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.29.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 2401051809213978599.29.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 2401051809213978599.29.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 2401051809213978599 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.30.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 2401051809213978599.30.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 2401051809213978599.30.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 2401051809213978599 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=-20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=0
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=20
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=40
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=60
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=80
2401051809213978599.eigenfacs
2401051809213978599.atom
calculating perturbed structure for DQ=100
2401051809213978599.eigenfacs
2401051809213978599.atom
making animated gifs
11 models are in 2401051809213978599.31.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 2401051809213978599.31.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 2401051809213978599.31.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
2401051809213978599.10.pdb
2401051809213978599.11.pdb
2401051809213978599.12.pdb
2401051809213978599.13.pdb
2401051809213978599.14.pdb
2401051809213978599.15.pdb
2401051809213978599.16.pdb
2401051809213978599.17.pdb
2401051809213978599.18.pdb
2401051809213978599.19.pdb
2401051809213978599.20.pdb
2401051809213978599.21.pdb
2401051809213978599.22.pdb
2401051809213978599.23.pdb
2401051809213978599.24.pdb
2401051809213978599.25.pdb
2401051809213978599.26.pdb
2401051809213978599.27.pdb
2401051809213978599.28.pdb
2401051809213978599.29.pdb
2401051809213978599.30.pdb
2401051809213978599.31.pdb
2401051809213978599.7.pdb
2401051809213978599.8.pdb
2401051809213978599.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m6.967s
user 1m6.698s
sys 0m0.244s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2401051809213978599.Chkmod.res: No such file or directory
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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elNémo
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It was developed
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Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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