*** ***
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 = 240227212943882188.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 240227212943882188.atom to be opened.
Openam> File opened: 240227212943882188.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 = 358
First residue number = 5
Last residue number = 371
Number of atoms found = 5858
Mean number per residue = 16.4
Pdbmat> Coordinate statistics:
= 11.803567 +/- 9.781090 From: -11.547000 To: 43.304000
= -1.023863 +/- 13.880160 From: -36.305000 To: 32.937000
= 18.867570 +/- 12.745655 From: -9.084000 To: 50.253000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HIC ' is not a well known amino-acid.
%Pdbmat-W> 1 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 3.0306 % Filled.
Pdbmat> 4680275 non-zero elements.
Pdbmat> 516223 atom-atom interactions.
Pdbmat> Number per atom= 176.25 +/- 53.89
Maximum number = 285
Minimum number = 20
Pdbmat> Matrix trace = 1.032446E+07
Pdbmat> Larger element = 1066.53
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
358 non-zero elements, NRBL set to 2
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 = 240227212943882188.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 240227212943882188.atom to be opened.
Openam> file on opening on unit 11:
240227212943882188.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5858 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 358 residues.
Blocpdb> 44 atoms in block 1
Block first atom: 1
Blocpdb> 29 atoms in block 2
Block first atom: 45
Blocpdb> 27 atoms in block 3
Block first atom: 74
Blocpdb> 26 atoms in block 4
Block first atom: 101
Blocpdb> 18 atoms in block 5
Block first atom: 127
Blocpdb> 26 atoms in block 6
Block first atom: 145
Blocpdb> 60 atoms in block 7
Block first atom: 171
Blocpdb> 17 atoms in block 8
Block first atom: 231
Blocpdb> 30 atoms in block 9
Block first atom: 248
Blocpdb> 19 atoms in block 10
Block first atom: 278
Blocpdb> 22 atoms in block 11
Block first atom: 297
Blocpdb> 38 atoms in block 12
Block first atom: 319
Blocpdb> 26 atoms in block 13
Block first atom: 357
Blocpdb> 34 atoms in block 14
Block first atom: 383
Blocpdb> 30 atoms in block 15
Block first atom: 417
Blocpdb> 23 atoms in block 16
Block first atom: 447
Blocpdb> 38 atoms in block 17
Block first atom: 470
Blocpdb> 42 atoms in block 18
Block first atom: 508
Blocpdb> 18 atoms in block 19
Block first atom: 550
Blocpdb> 25 atoms in block 20
Block first atom: 568
Blocpdb> 37 atoms in block 21
Block first atom: 593
Blocpdb> 19 atoms in block 22
Block first atom: 630
Blocpdb> 25 atoms in block 23
Block first atom: 649
Blocpdb> 39 atoms in block 24
Block first atom: 674
Blocpdb> 46 atoms in block 25
Block first atom: 713
Blocpdb> 26 atoms in block 26
Block first atom: 759
Blocpdb> 33 atoms in block 27
Block first atom: 785
Blocpdb> 41 atoms in block 28
Block first atom: 818
Blocpdb> 35 atoms in block 29
Block first atom: 859
Blocpdb> 34 atoms in block 30
Block first atom: 894
Blocpdb> 28 atoms in block 31
Block first atom: 928
Blocpdb> 38 atoms in block 32
Block first atom: 956
Blocpdb> 28 atoms in block 33
Block first atom: 994
Blocpdb> 36 atoms in block 34
Block first atom: 1022
Blocpdb> 29 atoms in block 35
Block first atom: 1058
Blocpdb> 52 atoms in block 36
Block first atom: 1087
Blocpdb> 43 atoms in block 37
Block first atom: 1139
Blocpdb> 36 atoms in block 38
Block first atom: 1182
Blocpdb> 34 atoms in block 39
Block first atom: 1218
Blocpdb> 35 atoms in block 40
Block first atom: 1252
Blocpdb> 34 atoms in block 41
Block first atom: 1287
Blocpdb> 40 atoms in block 42
Block first atom: 1321
Blocpdb> 24 atoms in block 43
Block first atom: 1361
Blocpdb> 30 atoms in block 44
Block first atom: 1385
Blocpdb> 32 atoms in block 45
Block first atom: 1415
Blocpdb> 33 atoms in block 46
Block first atom: 1447
Blocpdb> 33 atoms in block 47
Block first atom: 1480
Blocpdb> 25 atoms in block 48
Block first atom: 1513
Blocpdb> 33 atoms in block 49
Block first atom: 1538
Blocpdb> 28 atoms in block 50
Block first atom: 1571
Blocpdb> 32 atoms in block 51
Block first atom: 1599
Blocpdb> 38 atoms in block 52
Block first atom: 1631
Blocpdb> 37 atoms in block 53
Block first atom: 1669
Blocpdb> 48 atoms in block 54
Block first atom: 1706
Blocpdb> 53 atoms in block 55
Block first atom: 1754
Blocpdb> 37 atoms in block 56
Block first atom: 1807
Blocpdb> 29 atoms in block 57
Block first atom: 1844
Blocpdb> 48 atoms in block 58
Block first atom: 1873
Blocpdb> 30 atoms in block 59
Block first atom: 1921
Blocpdb> 27 atoms in block 60
Block first atom: 1951
Blocpdb> 37 atoms in block 61
Block first atom: 1978
Blocpdb> 29 atoms in block 62
Block first atom: 2015
Blocpdb> 27 atoms in block 63
Block first atom: 2044
Blocpdb> 35 atoms in block 64
Block first atom: 2071
Blocpdb> 30 atoms in block 65
Block first atom: 2106
Blocpdb> 31 atoms in block 66
Block first atom: 2136
Blocpdb> 18 atoms in block 67
Block first atom: 2167
Blocpdb> 38 atoms in block 68
Block first atom: 2185
Blocpdb> 21 atoms in block 69
Block first atom: 2223
Blocpdb> 35 atoms in block 70
Block first atom: 2244
Blocpdb> 31 atoms in block 71
Block first atom: 2279
Blocpdb> 18 atoms in block 72
Block first atom: 2310
Blocpdb> 19 atoms in block 73
Block first atom: 2328
Blocpdb> 30 atoms in block 74
Block first atom: 2347
Blocpdb> 32 atoms in block 75
Block first atom: 2377
Blocpdb> 30 atoms in block 76
Block first atom: 2409
Blocpdb> 40 atoms in block 77
Block first atom: 2439
Blocpdb> 37 atoms in block 78
Block first atom: 2479
Blocpdb> 31 atoms in block 79
Block first atom: 2516
Blocpdb> 33 atoms in block 80
Block first atom: 2547
Blocpdb> 28 atoms in block 81
Block first atom: 2580
Blocpdb> 36 atoms in block 82
Block first atom: 2608
Blocpdb> 67 atoms in block 83
Block first atom: 2644
Blocpdb> 31 atoms in block 84
Block first atom: 2711
Blocpdb> 17 atoms in block 85
Block first atom: 2742
Blocpdb> 36 atoms in block 86
Block first atom: 2759
Blocpdb> 33 atoms in block 87
Block first atom: 2795
Blocpdb> 33 atoms in block 88
Block first atom: 2828
Blocpdb> 53 atoms in block 89
Block first atom: 2861
Blocpdb> 41 atoms in block 90
Block first atom: 2914
Blocpdb> 33 atoms in block 91
Block first atom: 2955
Blocpdb> 39 atoms in block 92
Block first atom: 2988
Blocpdb> 28 atoms in block 93
Block first atom: 3027
Blocpdb> 31 atoms in block 94
Block first atom: 3055
Blocpdb> 30 atoms in block 95
Block first atom: 3086
Blocpdb> 24 atoms in block 96
Block first atom: 3116
Blocpdb> 39 atoms in block 97
Block first atom: 3140
Blocpdb> 34 atoms in block 98
Block first atom: 3179
Blocpdb> 40 atoms in block 99
Block first atom: 3213
Blocpdb> 31 atoms in block 100
Block first atom: 3253
Blocpdb> 37 atoms in block 101
Block first atom: 3284
Blocpdb> 41 atoms in block 102
Block first atom: 3321
Blocpdb> 32 atoms in block 103
Block first atom: 3362
Blocpdb> 26 atoms in block 104
Block first atom: 3394
Blocpdb> 31 atoms in block 105
Block first atom: 3420
Blocpdb> 35 atoms in block 106
Block first atom: 3451
Blocpdb> 29 atoms in block 107
Block first atom: 3486
Blocpdb> 27 atoms in block 108
Block first atom: 3515
Blocpdb> 24 atoms in block 109
Block first atom: 3542
Blocpdb> 21 atoms in block 110
Block first atom: 3566
Blocpdb> 22 atoms in block 111
Block first atom: 3587
Blocpdb> 30 atoms in block 112
Block first atom: 3609
Blocpdb> 37 atoms in block 113
Block first atom: 3639
Blocpdb> 32 atoms in block 114
Block first atom: 3676
Blocpdb> 34 atoms in block 115
Block first atom: 3708
Blocpdb> 26 atoms in block 116
Block first atom: 3742
Blocpdb> 24 atoms in block 117
Block first atom: 3768
Blocpdb> 35 atoms in block 118
Block first atom: 3792
Blocpdb> 33 atoms in block 119
Block first atom: 3827
Blocpdb> 21 atoms in block 120
Block first atom: 3860
Blocpdb> 39 atoms in block 121
Block first atom: 3881
Blocpdb> 44 atoms in block 122
Block first atom: 3920
Blocpdb> 25 atoms in block 123
Block first atom: 3964
Blocpdb> 29 atoms in block 124
Block first atom: 3989
Blocpdb> 39 atoms in block 125
Block first atom: 4018
Blocpdb> 31 atoms in block 126
Block first atom: 4057
Blocpdb> 31 atoms in block 127
Block first atom: 4088
Blocpdb> 26 atoms in block 128
Block first atom: 4119
Blocpdb> 32 atoms in block 129
Block first atom: 4145
Blocpdb> 21 atoms in block 130
Block first atom: 4177
Blocpdb> 26 atoms in block 131
Block first atom: 4198
Blocpdb> 48 atoms in block 132
Block first atom: 4224
Blocpdb> 28 atoms in block 133
Block first atom: 4272
Blocpdb> 35 atoms in block 134
Block first atom: 4300
Blocpdb> 30 atoms in block 135
Block first atom: 4335
Blocpdb> 61 atoms in block 136
Block first atom: 4365
Blocpdb> 23 atoms in block 137
Block first atom: 4426
Blocpdb> 31 atoms in block 138
Block first atom: 4449
Blocpdb> 43 atoms in block 139
Block first atom: 4480
Blocpdb> 34 atoms in block 140
Block first atom: 4523
Blocpdb> 40 atoms in block 141
Block first atom: 4557
Blocpdb> 24 atoms in block 142
Block first atom: 4597
Blocpdb> 44 atoms in block 143
Block first atom: 4621
Blocpdb> 56 atoms in block 144
Block first atom: 4665
Blocpdb> 14 atoms in block 145
Block first atom: 4721
Blocpdb> 28 atoms in block 146
Block first atom: 4735
Blocpdb> 38 atoms in block 147
Block first atom: 4763
Blocpdb> 21 atoms in block 148
Block first atom: 4801
Blocpdb> 29 atoms in block 149
Block first atom: 4822
Blocpdb> 36 atoms in block 150
Block first atom: 4851
Blocpdb> 51 atoms in block 151
Block first atom: 4887
Blocpdb> 37 atoms in block 152
Block first atom: 4938
Blocpdb> 33 atoms in block 153
Block first atom: 4975
Blocpdb> 29 atoms in block 154
Block first atom: 5008
Blocpdb> 24 atoms in block 155
Block first atom: 5037
Blocpdb> 25 atoms in block 156
Block first atom: 5061
Blocpdb> 39 atoms in block 157
Block first atom: 5086
Blocpdb> 41 atoms in block 158
Block first atom: 5125
Blocpdb> 38 atoms in block 159
Block first atom: 5166
Blocpdb> 24 atoms in block 160
Block first atom: 5204
Blocpdb> 29 atoms in block 161
Block first atom: 5228
Blocpdb> 46 atoms in block 162
Block first atom: 5257
Blocpdb> 32 atoms in block 163
Block first atom: 5303
Blocpdb> 40 atoms in block 164
Block first atom: 5335
Blocpdb> 26 atoms in block 165
Block first atom: 5375
Blocpdb> 18 atoms in block 166
Block first atom: 5401
Blocpdb> 38 atoms in block 167
Block first atom: 5419
Blocpdb> 21 atoms in block 168
Block first atom: 5457
Blocpdb> 41 atoms in block 169
Block first atom: 5478
Blocpdb> 34 atoms in block 170
Block first atom: 5519
Blocpdb> 34 atoms in block 171
Block first atom: 5553
Blocpdb> 41 atoms in block 172
Block first atom: 5587
Blocpdb> 33 atoms in block 173
Block first atom: 5628
Blocpdb> 39 atoms in block 174
Block first atom: 5661
Blocpdb> 36 atoms in block 175
Block first atom: 5700
Blocpdb> 27 atoms in block 176
Block first atom: 5736
Blocpdb> 17 atoms in block 177
Block first atom: 5763
Blocpdb> 25 atoms in block 178
Block first atom: 5780
Blocpdb> 35 atoms in block 179
Block first atom: 5805
Blocpdb> 19 atoms in block 180
Block first atom: 5839
Blocpdb> 180 blocks.
Blocpdb> At most, 67 atoms in each of them.
Blocpdb> At least, 14 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> 4680455 matrix lines read.
Prepmat> Matrix order = 17574
Prepmat> Matrix trace = 10324460.0000
Prepmat> Last element read: 17574 17574 553.6688
Prepmat> 16291 lines saved.
Prepmat> 13959 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: 5858
RTB> Total mass = 5858.0000
RTB> Number of atoms found in matrix: 5858
RTB> Number of blocks = 180
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 536196.6501
RTB> 81216 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 = 1080
Diagstd> Nb of non-zero elements: 81216
Diagstd> Projected matrix trace = 536196.6501
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1080 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 536196.6501
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 3.2204112 4.3824398 5.8116508 7.9054863
9.0820756 10.9655521 12.0080007 12.8798868 13.8428373
17.1881567 18.7043296 19.9471002 21.1313360 21.9441826
24.6708448 27.6720217 29.4089438 31.1038946 33.7505234
35.7359300 37.0245747 38.7286478 40.1392173 42.7423240
44.4863701 44.7813993 47.2120511 49.2551768 50.4442340
53.0375826 54.0958991 56.1817554 57.2317111 59.0050524
60.2391472 61.6645618 63.6690373 65.0434277 65.7096599
67.3543759 68.4833828 72.2432939 74.3686748 76.0554342
76.9765722 79.6502224 80.2359022 82.9782604 84.1393509
85.4246877 85.6670821 87.9773326 88.7459339 89.7276090
90.7638436 92.8545816 94.1876169 94.2045024 95.9482567
98.4409718 100.5368595 101.1743490 103.2391213 104.6340408
105.8979667 108.2171650 109.8362282 110.2301133 111.3955704
112.0954887 113.1345381 115.6926515 117.3627410 118.0238240
119.4810322 120.5915086 121.6388624 123.2072996 123.4138043
125.7503785 126.9202888 127.6923748 129.0143609 130.0651698
131.9404559 133.9528253 135.2523521 135.9859993 136.9663278
138.0061334 140.2116825 140.8924710 142.0538597 144.3014849
144.4714211 144.8610610 146.8493639 147.6058311 147.8669905
150.4129337
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034312 0.0034342 0.0034342 0.0034349 0.0034351
0.0034352 194.8726725 227.3281728 261.7851681 305.3230386
327.2561654 359.5924218 376.2968924 389.7187523 404.0246271
450.2046040 469.6413783 484.9926584 499.1818176 508.6920895
539.3706255 571.2362043 588.8911047 605.6234264 630.8636969
649.1541301 660.7547889 675.7895116 687.9862048 709.9444142
724.2837902 726.6815103 746.1423908 762.1162495 771.2604227
790.8372933 798.6885382 813.9410131 821.5114966 834.1417917
842.8197182 852.7330690 866.4817541 875.7839671 880.2578161
891.2061782 898.6444210 922.9837390 936.4623074 947.0227351
952.7403621 969.1450385 972.7016454 989.1848200 996.0814651
1003.6608411 1005.0837875 1018.5460651 1022.9855808 1028.6279665
1034.5505586 1046.3981157 1053.8824797 1053.9769431 1063.6869340
1077.4155181 1088.8246335 1092.2712174 1103.3604940 1110.7895339
1117.4782809 1129.6485687 1138.0676684 1140.1064618 1146.1177566
1149.7127501 1155.0289887 1168.0143204 1176.4145907 1179.7232029
1186.9837221 1192.4869755 1197.6542370 1205.3509091 1206.3606154
1217.7269867 1223.3783940 1227.0938011 1233.4294340 1238.4423261
1247.3383366 1256.8146063 1262.8963075 1266.3168295 1270.8730970
1275.6880118 1285.8413293 1288.9592077 1294.2608052 1304.4597413
1305.2276119 1306.9865283 1315.9255372 1319.3105565 1320.4771705
1331.7965063
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5858
Rtb_to_modes> Number of blocs = 180
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: 9.9839E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.220
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.382
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.812
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.905
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.082
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 10.97
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 12.01
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 12.88
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 13.84
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 17.19
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 18.70
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 19.95
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 21.13
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 21.94
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 24.67
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 27.67
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 29.41
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 31.10
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 33.75
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 35.74
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 37.02
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 38.73
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 40.14
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 42.74
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 44.49
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 44.78
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 47.21
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 49.26
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 50.44
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 53.04
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 54.10
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 56.18
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 57.23
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 59.01
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 60.24
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 61.66
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 63.67
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 65.04
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 65.71
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 67.35
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 68.48
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 72.24
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 74.37
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 76.06
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 76.98
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 79.65
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 80.24
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 82.98
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 84.14
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 85.42
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 85.67
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 87.98
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 88.75
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 89.73
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 90.76
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 92.85
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 94.19
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 94.20
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 95.95
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 98.44
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 100.5
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 101.2
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 103.2
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 104.6
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 105.9
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 108.2
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 109.8
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 110.2
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 111.4
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 112.1
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 113.1
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 115.7
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 117.4
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 118.0
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 119.5
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 120.6
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 121.6
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 123.2
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 123.4
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 125.8
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 126.9
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 127.7
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 129.0
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 130.1
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 131.9
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 134.0
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 135.3
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 136.0
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 137.0
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 138.0
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 140.2
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 140.9
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 142.1
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 144.3
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 144.5
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 144.9
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 146.8
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 147.6
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 147.9
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 150.4
Rtb_to_modes> 106 vectors, with 1080 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 0.99998 1.00000 0.99999 1.00001
0.99999 1.00000 1.00001 1.00000 0.99999
0.99999 1.00002 1.00001 1.00000 1.00000
1.00000 1.00002 1.00001 1.00000 1.00001
0.99998 1.00002 0.99997 1.00000 1.00001
1.00001 1.00000 1.00000 0.99998 0.99997
0.99998 0.99999 1.00001 1.00000 0.99998
1.00001 1.00001 0.99999 1.00002 0.99998
1.00001 1.00001 0.99998 1.00002 1.00002
1.00000 0.99999 1.00001 1.00001 0.99998
1.00002 0.99997 1.00001 0.99998 0.99998
1.00000 0.99999 0.99996 1.00001 1.00000
0.99998 0.99999 0.99997 1.00002 1.00000
0.99999 1.00002 0.99999 1.00000 1.00004
1.00000 1.00000 1.00003 1.00001 0.99997
1.00001 0.99999 1.00003 1.00001 1.00002
0.99997 0.99997 0.99998 1.00000 1.00002
0.99999 0.99998 1.00000 0.99996 1.00002
1.00000 1.00001 1.00000 1.00000 1.00002
0.99998 0.99999 1.00002 0.99998 1.00001
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 105444 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 0.99998 1.00000 0.99999 1.00001
0.99999 1.00000 1.00001 1.00000 0.99999
0.99999 1.00002 1.00001 1.00000 1.00000
1.00000 1.00002 1.00001 1.00000 1.00001
0.99998 1.00002 0.99997 1.00000 1.00001
1.00001 1.00000 1.00000 0.99998 0.99997
0.99998 0.99999 1.00001 1.00000 0.99998
1.00001 1.00001 0.99999 1.00002 0.99998
1.00001 1.00001 0.99998 1.00002 1.00002
1.00000 0.99999 1.00001 1.00001 0.99998
1.00002 0.99997 1.00001 0.99998 0.99998
1.00000 0.99999 0.99996 1.00001 1.00000
0.99998 0.99999 0.99997 1.00002 1.00000
0.99999 1.00002 0.99999 1.00000 1.00004
1.00000 1.00000 1.00003 1.00001 0.99997
1.00001 0.99999 1.00003 1.00001 1.00002
0.99997 0.99997 0.99998 1.00000 1.00002
0.99999 0.99998 1.00000 0.99996 1.00002
1.00000 1.00001 1.00000 1.00000 1.00002
0.99998 0.99999 1.00002 0.99998 1.00001
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> 240227212943882188.eigenfacs
Openam> file on opening on unit 10:
240227212943882188.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240227212943882188.atom
Openam> file on opening on unit 11:
240227212943882188.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 = 358
First residue number = 5
Last residue number = 371
Number of atoms found = 5858
Mean number per residue = 16.4
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9839E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.220
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.382
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.812
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.905
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.082
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 10.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 12.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 12.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 13.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 17.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 18.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 19.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 21.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 21.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 24.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 27.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 29.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 31.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 33.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 35.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 37.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 38.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 40.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 42.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 44.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 44.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 47.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 49.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 50.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 53.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 54.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 56.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 57.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 59.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 60.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 61.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 63.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 65.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 65.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 67.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 68.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 72.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 74.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 76.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 76.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 79.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 80.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 82.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 84.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 85.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 85.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 87.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 88.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 89.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 90.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 92.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 94.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 94.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 95.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 98.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 100.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 101.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 103.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 104.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 105.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 108.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 109.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 110.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 111.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 112.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 113.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 115.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 117.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 118.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 119.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 120.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 121.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 123.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 123.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 125.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 126.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 127.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 129.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 130.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 131.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 134.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 135.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 136.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 137.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 138.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 140.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 140.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 142.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 144.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 144.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 144.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 146.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 147.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 147.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 150.4
Bfactors> 106 vectors, 17574 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 : 3.220000
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= 0.441 for 375 C-alpha atoms.
Bfactors> = 0.006 +/- 0.01
Bfactors> = 15.857 +/- 5.43
Bfactors> Shiftng-fct= 15.851
Bfactors> Scaling-fct= 533.531
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240227212943882188 7 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-150
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=150
240227212943882188.eigenfacs
240227212943882188.atom
making animated gifs
16 models are in 240227212943882188.7.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.7.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.7.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 240227212943882188 8 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-150
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=150
240227212943882188.eigenfacs
240227212943882188.atom
making animated gifs
16 models are in 240227212943882188.8.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.8.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.8.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 240227212943882188 9 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-150
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=150
240227212943882188.eigenfacs
240227212943882188.atom
making animated gifs
16 models are in 240227212943882188.9.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.9.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.9.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 240227212943882188 10 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-150
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=150
240227212943882188.eigenfacs
240227212943882188.atom
making animated gifs
16 models are in 240227212943882188.10.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.10.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.10.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 240227212943882188 11 -150 150 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-150
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=-10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=10
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=30
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=50
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=70
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=90
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=110
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=130
240227212943882188.eigenfacs
240227212943882188.atom
calculating perturbed structure for DQ=150
240227212943882188.eigenfacs
240227212943882188.atom
making animated gifs
16 models are in 240227212943882188.11.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.11.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
16 models are in 240227212943882188.11.pdb, 2 models will be skipped
MODEL 1 will be plotted
MODEL 4 will be plotted
MODEL 7 will be plotted
MODEL 10 will be plotted
MODEL 13 will be plotted
MODEL 16 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
240227212943882188.10.pdb
240227212943882188.11.pdb
240227212943882188.7.pdb
240227212943882188.8.pdb
240227212943882188.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m29.554s
user 0m29.342s
sys 0m0.192s
../../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: 240227212943882188.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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).
Last modification: April 25th, 2023.
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