***    ***
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 = 260408115242648516.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 260408115242648516.atom to be opened.
Openam> File opened: 260408115242648516.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 = 1493
First residue number = 69
Last residue number = 1593
Number of atoms found = 22714
Mean number per residue = 15.2
Pdbmat> Coordinate statistics:
= -0.000002 +/- 31.165768 From: -63.612000 To: 63.849000
= 0.000004 +/- 15.811871 From: -41.311000 To: 49.542000
= 0.000003 +/- 14.218391 From: -39.308000 To: 39.804000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 42 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 9.9773 % Filled.
Pdbmat> 17382062 non-zero elements.
Pdbmat> 1916517 atom-atom interactions.
Pdbmat> Number per atom= 168.75 +/- 43.49
Maximum number = 249
Minimum number = 26
Pdbmat> Matrix trace = 3.833034E+07
Pdbmat> Larger element = 926.770
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1493 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 = 260408115242648516.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 260408115242648516.atom to be opened.
Openam> file on opening on unit 11:
260408115242648516.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 22714 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> 1493 residues.
Blocpdb> 119 atoms in block 1
Block first atom: 1
Blocpdb> 113 atoms in block 2
Block first atom: 120
Blocpdb> 130 atoms in block 3
Block first atom: 233
Blocpdb> 131 atoms in block 4
Block first atom: 363
Blocpdb> 116 atoms in block 5
Block first atom: 494
Blocpdb> 127 atoms in block 6
Block first atom: 610
Blocpdb> 110 atoms in block 7
Block first atom: 737
Blocpdb> 116 atoms in block 8
Block first atom: 847
Blocpdb> 127 atoms in block 9
Block first atom: 963
Blocpdb> 134 atoms in block 10
Block first atom: 1090
Blocpdb> 123 atoms in block 11
Block first atom: 1224
Blocpdb> 127 atoms in block 12
Block first atom: 1347
Blocpdb> 117 atoms in block 13
Block first atom: 1474
Blocpdb> 130 atoms in block 14
Block first atom: 1591
Blocpdb> 114 atoms in block 15
Block first atom: 1721
Blocpdb> 128 atoms in block 16
Block first atom: 1835
Blocpdb> 119 atoms in block 17
Block first atom: 1963
Blocpdb> 109 atoms in block 18
Block first atom: 2082
Blocpdb> 118 atoms in block 19
Block first atom: 2191
Blocpdb> 133 atoms in block 20
Block first atom: 2309
Blocpdb> 116 atoms in block 21
Block first atom: 2442
Blocpdb> 116 atoms in block 22
Block first atom: 2558
Blocpdb> 114 atoms in block 23
Block first atom: 2674
Blocpdb> 87 atoms in block 24
Block first atom: 2788
Blocpdb> 108 atoms in block 25
Block first atom: 2875
Blocpdb> 108 atoms in block 26
Block first atom: 2983
Blocpdb> 124 atoms in block 27
Block first atom: 3091
Blocpdb> 140 atoms in block 28
Block first atom: 3215
Blocpdb> 110 atoms in block 29
Block first atom: 3355
Blocpdb> 121 atoms in block 30
Block first atom: 3465
Blocpdb> 139 atoms in block 31
Block first atom: 3586
Blocpdb> 97 atoms in block 32
Block first atom: 3725
Blocpdb> 130 atoms in block 33
Block first atom: 3822
Blocpdb> 137 atoms in block 34
Block first atom: 3952
Blocpdb> 135 atoms in block 35
Block first atom: 4089
Blocpdb> 140 atoms in block 36
Block first atom: 4224
Blocpdb> 115 atoms in block 37
Block first atom: 4364
Blocpdb> 127 atoms in block 38
Block first atom: 4479
Blocpdb> 127 atoms in block 39
Block first atom: 4606
Blocpdb> 108 atoms in block 40
Block first atom: 4733
Blocpdb> 122 atoms in block 41
Block first atom: 4841
Blocpdb> 119 atoms in block 42
Block first atom: 4963
Blocpdb> 105 atoms in block 43
Block first atom: 5082
Blocpdb> 144 atoms in block 44
Block first atom: 5187
Blocpdb> 119 atoms in block 45
Block first atom: 5331
Blocpdb> 124 atoms in block 46
Block first atom: 5450
Blocpdb> 104 atoms in block 47
Block first atom: 5574
Blocpdb> 100 atoms in block 48
Block first atom: 5678
Blocpdb> 105 atoms in block 49
Block first atom: 5778
Blocpdb> 123 atoms in block 50
Block first atom: 5883
Blocpdb> 108 atoms in block 51
Block first atom: 6006
Blocpdb> 120 atoms in block 52
Block first atom: 6114
Blocpdb> 132 atoms in block 53
Block first atom: 6234
Blocpdb> 132 atoms in block 54
Block first atom: 6366
Blocpdb> 150 atoms in block 55
Block first atom: 6498
Blocpdb> 145 atoms in block 56
Block first atom: 6648
Blocpdb> 106 atoms in block 57
Block first atom: 6793
Blocpdb> 125 atoms in block 58
Block first atom: 6899
Blocpdb> 120 atoms in block 59
Block first atom: 7024
Blocpdb> 121 atoms in block 60
Block first atom: 7144
Blocpdb> 144 atoms in block 61
Block first atom: 7265
Blocpdb> 130 atoms in block 62
Block first atom: 7409
Blocpdb> 96 atoms in block 63
Block first atom: 7539
Blocpdb> 137 atoms in block 64
Block first atom: 7635
Blocpdb> 128 atoms in block 65
Block first atom: 7772
Blocpdb> 129 atoms in block 66
Block first atom: 7900
Blocpdb> 111 atoms in block 67
Block first atom: 8029
Blocpdb> 127 atoms in block 68
Block first atom: 8140
Blocpdb> 112 atoms in block 69
Block first atom: 8267
Blocpdb> 116 atoms in block 70
Block first atom: 8379
Blocpdb> 128 atoms in block 71
Block first atom: 8495
Blocpdb> 95 atoms in block 72
Block first atom: 8623
Blocpdb> 132 atoms in block 73
Block first atom: 8718
Blocpdb> 126 atoms in block 74
Block first atom: 8850
Blocpdb> 135 atoms in block 75
Block first atom: 8976
Blocpdb> 119 atoms in block 76
Block first atom: 9111
Blocpdb> 140 atoms in block 77
Block first atom: 9230
Blocpdb> 121 atoms in block 78
Block first atom: 9370
Blocpdb> 111 atoms in block 79
Block first atom: 9491
Blocpdb> 109 atoms in block 80
Block first atom: 9602
Blocpdb> 121 atoms in block 81
Block first atom: 9711
Blocpdb> 133 atoms in block 82
Block first atom: 9832
Blocpdb> 123 atoms in block 83
Block first atom: 9965
Blocpdb> 124 atoms in block 84
Block first atom: 10088
Blocpdb> 108 atoms in block 85
Block first atom: 10212
Blocpdb> 119 atoms in block 86
Block first atom: 10320
Blocpdb> 133 atoms in block 87
Block first atom: 10439
Blocpdb> 107 atoms in block 88
Block first atom: 10572
Blocpdb> 147 atoms in block 89
Block first atom: 10679
Blocpdb> 139 atoms in block 90
Block first atom: 10826
Blocpdb> 109 atoms in block 91
Block first atom: 10965
Blocpdb> 124 atoms in block 92
Block first atom: 11074
Blocpdb> 122 atoms in block 93
Block first atom: 11198
Blocpdb> 143 atoms in block 94
Block first atom: 11320
Blocpdb> 113 atoms in block 95
Block first atom: 11463
Blocpdb> 112 atoms in block 96
Block first atom: 11576
Blocpdb> 125 atoms in block 97
Block first atom: 11688
Blocpdb> 124 atoms in block 98
Block first atom: 11813
Blocpdb> 109 atoms in block 99
Block first atom: 11937
Blocpdb> 118 atoms in block 100
Block first atom: 12046
Blocpdb> 124 atoms in block 101
Block first atom: 12164
Blocpdb> 124 atoms in block 102
Block first atom: 12288
Blocpdb> 131 atoms in block 103
Block first atom: 12412
Blocpdb> 111 atoms in block 104
Block first atom: 12543
Blocpdb> 127 atoms in block 105
Block first atom: 12654
Blocpdb> 135 atoms in block 106
Block first atom: 12781
Blocpdb> 131 atoms in block 107
Block first atom: 12916
Blocpdb> 130 atoms in block 108
Block first atom: 13047
Blocpdb> 132 atoms in block 109
Block first atom: 13177
Blocpdb> 125 atoms in block 110
Block first atom: 13309
Blocpdb> 109 atoms in block 111
Block first atom: 13434
Blocpdb> 116 atoms in block 112
Block first atom: 13543
Blocpdb> 138 atoms in block 113
Block first atom: 13659
Blocpdb> 121 atoms in block 114
Block first atom: 13797
Blocpdb> 96 atoms in block 115
Block first atom: 13918
Blocpdb> 16 atoms in block 116
Block first atom: 14014
Blocpdb> 103 atoms in block 117
Block first atom: 14030
Blocpdb> 127 atoms in block 118
Block first atom: 14133
Blocpdb> 121 atoms in block 119
Block first atom: 14260
Blocpdb> 126 atoms in block 120
Block first atom: 14381
Blocpdb> 129 atoms in block 121
Block first atom: 14507
Blocpdb> 138 atoms in block 122
Block first atom: 14636
Blocpdb> 144 atoms in block 123
Block first atom: 14774
Blocpdb> 126 atoms in block 124
Block first atom: 14918
Blocpdb> 115 atoms in block 125
Block first atom: 15044
Blocpdb> 113 atoms in block 126
Block first atom: 15159
Blocpdb> 120 atoms in block 127
Block first atom: 15272
Blocpdb> 124 atoms in block 128
Block first atom: 15392
Blocpdb> 113 atoms in block 129
Block first atom: 15516
Blocpdb> 149 atoms in block 130
Block first atom: 15629
Blocpdb> 105 atoms in block 131
Block first atom: 15778
Blocpdb> 117 atoms in block 132
Block first atom: 15883
Blocpdb> 129 atoms in block 133
Block first atom: 16000
Blocpdb> 128 atoms in block 134
Block first atom: 16129
Blocpdb> 107 atoms in block 135
Block first atom: 16257
Blocpdb> 105 atoms in block 136
Block first atom: 16364
Blocpdb> 135 atoms in block 137
Block first atom: 16469
Blocpdb> 112 atoms in block 138
Block first atom: 16604
Blocpdb> 114 atoms in block 139
Block first atom: 16716
Blocpdb> 120 atoms in block 140
Block first atom: 16830
Blocpdb> 107 atoms in block 141
Block first atom: 16950
Blocpdb> 133 atoms in block 142
Block first atom: 17057
Blocpdb> 123 atoms in block 143
Block first atom: 17190
Blocpdb> 114 atoms in block 144
Block first atom: 17313
Blocpdb> 101 atoms in block 145
Block first atom: 17427
Blocpdb> 140 atoms in block 146
Block first atom: 17528
Blocpdb> 121 atoms in block 147
Block first atom: 17668
Blocpdb> 110 atoms in block 148
Block first atom: 17789
Blocpdb> 111 atoms in block 149
Block first atom: 17899
Blocpdb> 130 atoms in block 150
Block first atom: 18010
Blocpdb> 138 atoms in block 151
Block first atom: 18140
Blocpdb> 110 atoms in block 152
Block first atom: 18278
Blocpdb> 142 atoms in block 153
Block first atom: 18388
Blocpdb> 131 atoms in block 154
Block first atom: 18530
Blocpdb> 138 atoms in block 155
Block first atom: 18661
Blocpdb> 119 atoms in block 156
Block first atom: 18799
Blocpdb> 118 atoms in block 157
Block first atom: 18918
Blocpdb> 110 atoms in block 158
Block first atom: 19036
Blocpdb> 127 atoms in block 159
Block first atom: 19146
Blocpdb> 141 atoms in block 160
Block first atom: 19273
Blocpdb> 127 atoms in block 161
Block first atom: 19414
Blocpdb> 138 atoms in block 162
Block first atom: 19541
Blocpdb> 141 atoms in block 163
Block first atom: 19679
Blocpdb> 130 atoms in block 164
Block first atom: 19820
Blocpdb> 144 atoms in block 165
Block first atom: 19950
Blocpdb> 122 atoms in block 166
Block first atom: 20094
Blocpdb> 128 atoms in block 167
Block first atom: 20216
Blocpdb> 117 atoms in block 168
Block first atom: 20344
Blocpdb> 120 atoms in block 169
Block first atom: 20461
Blocpdb> 111 atoms in block 170
Block first atom: 20581
Blocpdb> 98 atoms in block 171
Block first atom: 20692
Blocpdb> 96 atoms in block 172
Block first atom: 20790
Blocpdb> 111 atoms in block 173
Block first atom: 20886
Blocpdb> 117 atoms in block 174
Block first atom: 20997
Blocpdb> 134 atoms in block 175
Block first atom: 21114
Blocpdb> 108 atoms in block 176
Block first atom: 21248
Blocpdb> 111 atoms in block 177
Block first atom: 21356
Blocpdb> 131 atoms in block 178
Block first atom: 21467
Blocpdb> 108 atoms in block 179
Block first atom: 21598
Blocpdb> 106 atoms in block 180
Block first atom: 21706
Blocpdb> 141 atoms in block 181
Block first atom: 21812
Blocpdb> 118 atoms in block 182
Block first atom: 21953
Blocpdb> 115 atoms in block 183
Block first atom: 22071
Blocpdb> 113 atoms in block 184
Block first atom: 22186
Blocpdb> 99 atoms in block 185
Block first atom: 22299
Blocpdb> 137 atoms in block 186
Block first atom: 22398
Blocpdb> 128 atoms in block 187
Block first atom: 22535
Blocpdb> 52 atoms in block 188
Block first atom: 22662
Blocpdb> 188 blocks.
Blocpdb> At most, 150 atoms in each of them.
Blocpdb> At least, 16 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 17382250 matrix lines read.
Prepmat> Matrix order = 68142
Prepmat> Matrix trace = 38330340.0001
Prepmat> Last element read: 68142 68142 105.3418
Prepmat> 17767 lines saved.
Prepmat> 15906 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: 22714
RTB> Total mass = 22714.0000
RTB> Number of atoms found in matrix: 22714
RTB> Number of blocks = 188
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 418328.4846
RTB> 64140 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 = 1128
Diagstd> Nb of non-zero elements: 64140
Diagstd> Projected matrix trace = 418328.4846
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1128 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 418328.4846
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 0.6045640 0.9807218 1.5895714 3.7592421
4.2632324 4.6028244 5.1253482 6.0663835 7.1719898
8.1747888 8.6925623 10.7825760 11.6451366 12.1994114
14.3094229 14.9667296 15.7889205 17.9232254 18.5530662
19.4808276 19.8332877 20.3476059 22.6427227 23.3374560
23.7446924 24.4360116 25.1981381 26.1848138 28.3024798
28.5786213 29.5992158 30.3646716 31.0063763 31.6026827
32.6528458 32.9326594 33.7470123 34.7713799 35.6185344
36.1819724 37.3415805 38.8523268 40.0904321 42.4811677
42.5264069 42.7481657 44.9637378 45.3257230 46.7450100
47.4474348 48.7285163 49.1047014 51.5254981 53.5144836
53.5994927 54.2488963 55.2590485 56.6912166 57.2766067
58.0415982 58.9270300 60.3084258 61.1787439 62.5067423
63.0001833 63.2159394 63.7663405 64.9311701 66.2335780
66.5151860 67.9219392 68.4006552 69.8984085 71.3812373
72.7854053 73.6854266 74.0861604 74.9974610 75.7252775
76.6804310 77.3399625 78.2029208 79.4751164 80.4503411
80.6925509 82.9980161 83.7442880 85.1853773 85.6127760
87.3100104 88.2047174 89.2128461 90.0744519 91.0062934
91.9244856 92.1328023 93.5806704 94.2194695 94.8096473
96.5531199
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034321 0.0034328 0.0034333 0.0034352 0.0034356
0.0034359 84.4338179 107.5395465 136.9100417 210.5452416
224.2150622 232.9740142 245.8425030 267.4608440 290.8138678
310.4799430 320.1615594 356.5796412 370.5677107 379.2841716
410.7772086 420.1058575 431.4907594 459.7305496 467.7385097
479.2906778 483.6070646 489.8373977 516.7251545 524.5924507
529.1497004 536.7974473 545.1041727 555.6739340 577.7068602
580.5183027 590.7930568 598.3834520 604.6732929 610.4600607
620.5200215 623.1730759 630.8308811 640.3335294 648.0869899
653.1928158 663.5774640 676.8677106 687.5679884 707.7722047
708.1489659 709.9929271 728.1594389 731.0846250 742.4426441
748.0000879 758.0308391 760.9512199 779.4825186 794.3848444
795.0155435 799.8171894 807.2294196 817.6231297 821.8336518
827.3036901 833.5901161 843.3042257 849.3673414 858.5363998
861.9184693 863.3931094 867.1436081 875.0278883 883.7600966
885.6368637 894.9531860 898.1014779 907.8809933 917.4603746
926.4402874 932.1505957 934.6818814 940.4128628 944.9649866
950.9059236 954.9865583 960.2996428 968.0791502 974.0006018
975.4656992 989.3025674 993.7402429 1002.2540178 1004.7651655
1014.6757948 1019.8614748 1025.6731284 1030.6141342 1035.9313912
1041.1442007 1042.3232388 1050.4813740 1054.0606667 1057.3567588
1067.0344375
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 22714
Rtb_to_modes> Number of blocs = 188
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: 9.9894E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9934E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9963E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.6046
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.9807
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.590
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.759
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.263
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 4.603
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 5.125
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 6.066
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 7.172
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 8.175
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 8.693
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 10.78
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.65
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.20
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 14.31
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.97
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 15.79
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 17.92
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 18.55
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 19.48
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 19.83
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 20.35
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 22.64
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 23.34
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 23.74
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 24.44
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 25.20
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 26.18
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.30
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 28.58
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 29.60
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 30.36
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 31.01
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 31.60
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 32.65
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 32.93
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 33.75
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 34.77
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 35.62
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 36.18
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 37.34
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 38.85
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 40.09
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 42.48
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 42.53
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 42.75
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 44.96
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 45.33
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 46.75
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 47.45
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 48.73
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 49.10
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 51.53
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 53.51
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 53.60
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 54.25
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 55.26
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 56.69
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 57.28
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 58.04
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 58.93
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 60.31
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 61.18
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 62.51
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 63.00
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 63.22
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 63.77
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 64.93
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 66.23
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 66.52
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 67.92
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 68.40
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 69.90
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 71.38
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 72.79
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 73.69
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 74.09
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 75.00
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 75.73
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 76.68
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 77.34
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 78.20
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 79.48
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 80.45
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 80.69
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 83.00
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 83.74
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 85.19
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 85.61
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 87.31
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 88.20
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 89.21
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 90.07
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 91.01
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 91.92
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 92.13
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 93.58
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 94.22
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 94.81
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 96.55
Rtb_to_modes> 106 vectors, with 1128 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00003 1.00000
1.00000 1.00001 0.99999 0.99999 1.00002
1.00000 0.99997 0.99998 1.00000 0.99999
1.00001 1.00001 1.00000 1.00004 0.99998
0.99998 0.99998 1.00000 1.00002 1.00000
1.00000 0.99997 1.00000 0.99999 0.99999
0.99998 1.00003 0.99998 1.00000 1.00001
1.00002 1.00000 1.00000 1.00000 1.00000
0.99999 1.00002 0.99999 1.00001 1.00001
0.99999 1.00001 1.00001 1.00003 1.00000
0.99999 0.99998 1.00000 1.00003 1.00000
1.00001 0.99998 1.00000 1.00000 1.00000
0.99999 0.99999 0.99999 1.00000 1.00001
0.99999 0.99999 1.00002 0.99999 1.00002
1.00001 1.00002 1.00002 1.00002 1.00000
1.00001 1.00001 1.00001 0.99998 1.00000
1.00000 1.00000 0.99999 1.00001 0.99999
1.00002 1.00000 0.99999 1.00002 1.00000
1.00000 1.00001 0.99998 1.00000 1.00001
1.00000 1.00001 1.00000 1.00000 1.00000
1.00000 1.00001 0.99998 0.99998 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 408852 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00003 1.00000
1.00000 1.00001 0.99999 0.99999 1.00002
1.00000 0.99997 0.99998 1.00000 0.99999
1.00001 1.00001 1.00000 1.00004 0.99998
0.99998 0.99998 1.00000 1.00002 1.00000
1.00000 0.99997 1.00000 0.99999 0.99999
0.99998 1.00003 0.99998 1.00000 1.00001
1.00002 1.00000 1.00000 1.00000 1.00000
0.99999 1.00002 0.99999 1.00001 1.00001
0.99999 1.00001 1.00001 1.00003 1.00000
0.99999 0.99998 1.00000 1.00003 1.00000
1.00001 0.99998 1.00000 1.00000 1.00000
0.99999 0.99999 0.99999 1.00000 1.00001
0.99999 0.99999 1.00002 0.99999 1.00002
1.00001 1.00002 1.00002 1.00002 1.00000
1.00001 1.00001 1.00001 0.99998 1.00000
1.00000 1.00000 0.99999 1.00001 0.99999
1.00002 1.00000 0.99999 1.00002 1.00000
1.00000 1.00001 0.99998 1.00000 1.00001
1.00000 1.00001 1.00000 1.00000 1.00000
1.00000 1.00001 0.99998 0.99998 1.00000
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000 0.000-0.000
Vector 5: 0.000 0.000-0.000-0.000
Vector 6: 0.000-0.000-0.000 0.000-0.000
Vector 7: 0.000 0.000 0.000 0.000 0.000 0.000
Vector 8: 0.000-0.000 0.000 0.000 0.000-0.000 0.000
Vector 9:-0.000 0.000 0.000 0.000-0.000-0.000-0.000 0.000
Vector 10: 0.000 0.000-0.000 0.000-0.000-0.000 0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 260408115242648516.eigenfacs
Openam> file on opening on unit 10:
260408115242648516.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 260408115242648516.atom
Openam> file on opening on unit 11:
260408115242648516.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 = 1493
First residue number = 69
Last residue number = 1593
Number of atoms found = 22714
Mean number per residue = 15.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6046
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9807
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.590
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 4.603
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 5.125
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 6.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 7.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 8.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 8.693
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 10.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 14.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 15.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 17.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 18.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 19.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 19.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 20.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 22.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 23.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 23.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 24.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 25.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 26.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 28.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 29.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 30.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 31.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 31.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 32.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 32.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 33.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 34.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 35.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 36.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 37.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 38.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 40.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 42.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 42.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 42.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 44.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 45.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 46.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 47.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 48.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 49.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 51.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 53.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 53.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 54.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 55.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 56.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 57.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 58.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 58.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 60.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 61.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 62.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 63.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 63.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 63.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 64.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 66.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 66.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 67.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 68.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 69.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 71.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 72.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 73.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 74.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 75.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 75.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 76.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 77.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 78.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 79.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 80.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 80.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 83.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 83.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 85.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 85.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 87.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 88.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 89.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 90.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 91.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 91.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 92.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 93.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 94.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 94.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 96.55
Bfactors> 106 vectors, 68142 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 : 0.604600
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= -0.101 for 1493 C-alpha atoms.
Bfactors> = 0.005 +/- 0.01
Bfactors> = 0.001 +/- 0.01
Bfactors> Shiftng-fct= -0.004
Bfactors> Scaling-fct= 0.928
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 260408115242648516.eigenfacs
Openam> file on opening on unit 10:
260408115242648516.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4320E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4327E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4350E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4354E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4357E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 84.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 107.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 136.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 210.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 224.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 233.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 245.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 267.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 290.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 310.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 320.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 356.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 370.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 379.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 410.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 420.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 431.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 459.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 467.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 479.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 483.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 489.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 516.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 524.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 529.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 536.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 545.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 555.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 577.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 580.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 590.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 598.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 604.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 610.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 620.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 623.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 630.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 640.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 648.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 653.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 663.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 676.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 687.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 707.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 708.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 710.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 728.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 731.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 742.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 748.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 758.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 760.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 779.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 794.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 795.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 799.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 807.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 817.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 821.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 827.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 833.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 843.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 849.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 858.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 861.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 863.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 867.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 875.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 883.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 885.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 894.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 898.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 907.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 917.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 926.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 932.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 934.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 940.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 945.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 950.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 954.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 960.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 968.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 974.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 975.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 989.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 993.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 1002.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 1005.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 1015.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 1020.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 1026.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 1031.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 1036.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 1041.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 1042.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 1050.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 1054.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 1057.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 1067.
Chkmod> 106 vectors, 68142 coordinates in file.
Chkmod> That is: 22714 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
Chkmod> Normal end.
0.0034 0.8995
0.0034 0.9427
0.0034 0.7582
0.0034 0.6599
0.0034 0.8916
0.0034 0.9170
84.4327 0.6995
107.5337 0.6575
136.9226 0.7665
210.5294 0.1929
224.1993 0.2695
232.9685 0.2824
245.8236 0.5203
267.4409 0.2787
290.8016 0.1727
310.4706 0.2143
320.1559 0.4544
356.5217 0.3671
370.6292 0.4484
379.2770 0.3417
410.7679 0.3322
420.1337 0.4248
431.4870 0.4984
459.6694 0.2152
467.6798 0.3244
479.2599 0.3306
483.5462 0.4093
489.8452 0.3618
516.6719 0.3973
524.5985 0.6635
529.0747 0.5829
536.8182 0.4174
545.1009 0.4216
555.5990 0.3785
577.6568 0.3083
580.5074 0.1957
590.7755 0.6185
598.3117 0.4811
604.6827 0.6649
610.4079 0.3720
620.4663 0.5249
623.1212 0.3263
630.8317 0.3305
640.2933 0.5240
648.0725 0.5018
653.1470 0.4591
663.5349 0.4911
676.8184 0.2573
687.5348 0.3952
707.7321 0.3577
708.1485 0.4470
709.9777 0.5624
728.0979 0.4374
731.0877 0.4431
742.4504 0.4503
747.9882 0.1855
758.0098 0.4255
760.8821 0.3603
779.4831 0.2481
794.3175 0.4870
794.9852 0.5336
799.7910 0.3459
807.2017 0.4429
817.5793 0.4947
821.8227 0.4432
827.2568 0.4394
833.5753 0.4700
843.2790 0.3237
849.3396 0.4108
858.5219 0.3622
861.8802 0.5477
863.3838 0.2309
867.1313 0.4779
874.9824 0.4258
883.6983 0.5671
885.6309 0.4581
894.9020 0.5641
898.0586 0.4701
907.8524 0.4078
917.4130 0.4985
926.4298 0.2915
932.1395 0.4465
934.6660 0.5454
940.3884 0.4743
944.9539 0.3238
950.8624 0.3501
954.9458 0.4637
960.2405 0.5219
968.0673 0.4382
973.9567 0.4576
975.4084 0.5118
989.2719 0.3993
993.6721 0.4009
1002.2382 0.3938
1004.7057 0.4217
1014.6322 0.4263
1019.7904 0.4488
1025.6127 0.5547
1030.5444 0.3080
1035.9080 0.4140
1041.0741 0.3554
1042.2626 0.4697
1050.4325 0.5081
1054.0184 0.4773
1057.3133 0.3827
1066.9714 0.3690
getting mode 7
running: ../../bin/get_modes.sh 260408115242648516 7 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.7.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.7.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.7.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 260408115242648516 8 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.8.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.8.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.8.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 260408115242648516 9 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.9.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.9.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.9.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 260408115242648516 10 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.10.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.10.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.10.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 260408115242648516 11 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.11.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.11.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.11.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 260408115242648516 12 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.12.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.12.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.12.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 260408115242648516 13 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.13.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.13.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.13.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 260408115242648516 14 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.14.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.14.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.14.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 260408115242648516 15 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.15.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.15.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.15.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 260408115242648516 16 -250 250 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-250
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=-10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=10
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=30
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=50
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=70
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=90
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=110
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=130
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=150
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=170
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=190
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=210
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=230
260408115242648516.eigenfacs
260408115242648516.atom
calculating perturbed structure for DQ=250
260408115242648516.eigenfacs
260408115242648516.atom
making animated gifs
26 models are in 260408115242648516.16.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.16.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
26 models are in 260408115242648516.16.pdb, 4 models will be skipped
MODEL 1 will be plotted
MODEL 6 will be plotted
MODEL 11 will be plotted
MODEL 16 will be plotted
MODEL 21 will be plotted
MODEL 26 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
260408115242648516.10.pdb
260408115242648516.11.pdb
260408115242648516.12.pdb
260408115242648516.13.pdb
260408115242648516.14.pdb
260408115242648516.15.pdb
260408115242648516.16.pdb
260408115242648516.7.pdb
260408115242648516.8.pdb
260408115242648516.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 4m23.355s
user 4m22.037s
sys 0m1.210s
rm: cannot remove '260408115242648516.sdijf': No such file or directory
pstopnm: Writing ppmraw format
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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