*** fad ***
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 = 2403301559411589666.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 2403301559411589666.atom to be opened.
Openam> File opened: 2403301559411589666.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 = 173
First residue number = 1
Last residue number = 21
Number of atoms found = 1921
Mean number per residue = 11.1
Pdbmat> Coordinate statistics:
= 32.528467 +/- 16.793380 From: -3.586000 To: 61.171000
= 13.781792 +/- 9.742654 From: -7.942000 To: 41.977000
= 10.994693 +/- 7.811627 From: -12.456000 To: 32.006000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DC ' is not a well known amino-acid.
%Pdbmat-W> residue:'DG ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' is not a well known amino-acid.
%Pdbmat-W> residue:'DT ' 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 4.2143 % Filled.
Pdbmat> 699956 non-zero elements.
Pdbmat> 76505 atom-atom interactions.
Pdbmat> Number per atom= 79.65 +/- 25.62
Maximum number = 136
Minimum number = 9
Pdbmat> Matrix trace = 1.530100E+06
Pdbmat> Larger element = 524.173
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
173 non-zero elements, NRBL set to 1
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 = 2403301559411589666.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2403301559411589666.atom to be opened.
Openam> file on opening on unit 11:
2403301559411589666.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1921 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 173 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 4 atoms in block 2
Block first atom: 9
Blocpdb> 7 atoms in block 3
Block first atom: 13
Blocpdb> 9 atoms in block 4
Block first atom: 20
Blocpdb> 11 atoms in block 5
Block first atom: 29
Blocpdb> 11 atoms in block 6
Block first atom: 40
Blocpdb> 9 atoms in block 7
Block first atom: 51
Blocpdb> 8 atoms in block 8
Block first atom: 60
Blocpdb> 7 atoms in block 9
Block first atom: 68
Blocpdb> 11 atoms in block 10
Block first atom: 75
Blocpdb> 11 atoms in block 11
Block first atom: 86
Blocpdb> 9 atoms in block 12
Block first atom: 97
Blocpdb> 9 atoms in block 13
Block first atom: 106
Blocpdb> 6 atoms in block 14
Block first atom: 115
Blocpdb> 11 atoms in block 15
Block first atom: 121
Blocpdb> 8 atoms in block 16
Block first atom: 132
Blocpdb> 8 atoms in block 17
Block first atom: 140
Blocpdb> 9 atoms in block 18
Block first atom: 148
Blocpdb> 9 atoms in block 19
Block first atom: 157
Blocpdb> 7 atoms in block 20
Block first atom: 166
Blocpdb> 9 atoms in block 21
Block first atom: 173
Blocpdb> 9 atoms in block 22
Block first atom: 182
Blocpdb> 8 atoms in block 23
Block first atom: 191
Blocpdb> 7 atoms in block 24
Block first atom: 199
Blocpdb> 8 atoms in block 25
Block first atom: 206
Blocpdb> 8 atoms in block 26
Block first atom: 214
Blocpdb> 11 atoms in block 27
Block first atom: 222
Blocpdb> 9 atoms in block 28
Block first atom: 233
Blocpdb> 4 atoms in block 29
Block first atom: 242
Blocpdb> 9 atoms in block 30
Block first atom: 246
Blocpdb> 8 atoms in block 31
Block first atom: 255
Blocpdb> 5 atoms in block 32
Block first atom: 263
Blocpdb> 11 atoms in block 33
Block first atom: 268
Blocpdb> 11 atoms in block 34
Block first atom: 279
Blocpdb> 11 atoms in block 35
Block first atom: 290
Blocpdb> 8 atoms in block 36
Block first atom: 301
Blocpdb> 8 atoms in block 37
Block first atom: 309
Blocpdb> 7 atoms in block 38
Block first atom: 317
Blocpdb> 7 atoms in block 39
Block first atom: 324
Blocpdb> 6 atoms in block 40
Block first atom: 331
Blocpdb> 7 atoms in block 41
Block first atom: 337
Blocpdb> 8 atoms in block 42
Block first atom: 344
Blocpdb> 6 atoms in block 43
Block first atom: 352
Blocpdb> 7 atoms in block 44
Block first atom: 358
Blocpdb> 8 atoms in block 45
Block first atom: 365
Blocpdb> 8 atoms in block 46
Block first atom: 373
Blocpdb> 9 atoms in block 47
Block first atom: 381
Blocpdb> 8 atoms in block 48
Block first atom: 390
Blocpdb> 9 atoms in block 49
Block first atom: 398
Blocpdb> 11 atoms in block 50
Block first atom: 407
Blocpdb> 5 atoms in block 51
Block first atom: 418
Blocpdb> 8 atoms in block 52
Block first atom: 423
Blocpdb> 8 atoms in block 53
Block first atom: 431
Blocpdb> 5 atoms in block 54
Block first atom: 439
Blocpdb> 6 atoms in block 55
Block first atom: 444
Blocpdb> 9 atoms in block 56
Block first atom: 450
Blocpdb> 11 atoms in block 57
Block first atom: 459
Blocpdb> 9 atoms in block 58
Block first atom: 470
Blocpdb> 12 atoms in block 59
Block first atom: 479
Blocpdb> 4 atoms in block 60
Block first atom: 491
Blocpdb> 7 atoms in block 61
Block first atom: 495
Blocpdb> 5 atoms in block 62
Block first atom: 502
Blocpdb> 6 atoms in block 63
Block first atom: 507
Blocpdb> 7 atoms in block 64
Block first atom: 513
Blocpdb> 6 atoms in block 65
Block first atom: 520
Blocpdb> 11 atoms in block 66
Block first atom: 526
Blocpdb> 9 atoms in block 67
Block first atom: 537
Blocpdb> 7 atoms in block 68
Block first atom: 546
Blocpdb> 8 atoms in block 69
Block first atom: 553
Blocpdb> 9 atoms in block 70
Block first atom: 561
Blocpdb> 8 atoms in block 71
Block first atom: 570
Blocpdb> 6 atoms in block 72
Block first atom: 578
Blocpdb> 7 atoms in block 73
Block first atom: 584
Blocpdb> 12 atoms in block 74
Block first atom: 591
Blocpdb> 8 atoms in block 75
Block first atom: 603
Blocpdb> 9 atoms in block 76
Block first atom: 611
Blocpdb> 8 atoms in block 77
Block first atom: 620
Blocpdb> 9 atoms in block 78
Block first atom: 628
Blocpdb> 4 atoms in block 79
Block first atom: 637
Blocpdb> 8 atoms in block 80
Block first atom: 641
Blocpdb> 8 atoms in block 81
Block first atom: 649
Blocpdb> 8 atoms in block 82
Block first atom: 657
Blocpdb> 5 atoms in block 83
Block first atom: 665
Blocpdb> 14 atoms in block 84
Block first atom: 670
Blocpdb> 11 atoms in block 85
Block first atom: 684
Blocpdb> 9 atoms in block 86
Block first atom: 695
Blocpdb> 9 atoms in block 87
Block first atom: 704
Blocpdb> 8 atoms in block 88
Block first atom: 713
Blocpdb> 11 atoms in block 89
Block first atom: 721
Blocpdb> 5 atoms in block 90
Block first atom: 732
Blocpdb> 5 atoms in block 91
Block first atom: 737
Blocpdb> 4 atoms in block 92
Block first atom: 742
Blocpdb> 8 atoms in block 93
Block first atom: 746
Blocpdb> 7 atoms in block 94
Block first atom: 754
Blocpdb> 7 atoms in block 95
Block first atom: 761
Blocpdb> 9 atoms in block 96
Block first atom: 768
Blocpdb> 4 atoms in block 97
Block first atom: 777
Blocpdb> 8 atoms in block 98
Block first atom: 781
Blocpdb> 8 atoms in block 99
Block first atom: 789
Blocpdb> 8 atoms in block 100
Block first atom: 797
Blocpdb> 9 atoms in block 101
Block first atom: 805
Blocpdb> 9 atoms in block 102
Block first atom: 814
Blocpdb> 9 atoms in block 103
Block first atom: 823
Blocpdb> 5 atoms in block 104
Block first atom: 832
Blocpdb> 8 atoms in block 105
Block first atom: 837
Blocpdb> 11 atoms in block 106
Block first atom: 845
Blocpdb> 8 atoms in block 107
Block first atom: 856
Blocpdb> 5 atoms in block 108
Block first atom: 864
Blocpdb> 9 atoms in block 109
Block first atom: 869
Blocpdb> 9 atoms in block 110
Block first atom: 878
Blocpdb> 8 atoms in block 111
Block first atom: 887
Blocpdb> 4 atoms in block 112
Block first atom: 895
Blocpdb> 8 atoms in block 113
Block first atom: 899
Blocpdb> 8 atoms in block 114
Block first atom: 907
Blocpdb> 8 atoms in block 115
Block first atom: 915
Blocpdb> 11 atoms in block 116
Block first atom: 923
Blocpdb> 7 atoms in block 117
Block first atom: 934
Blocpdb> 5 atoms in block 118
Block first atom: 941
Blocpdb> 6 atoms in block 119
Block first atom: 946
Blocpdb> 8 atoms in block 120
Block first atom: 952
Blocpdb> 4 atoms in block 121
Block first atom: 960
Blocpdb> 14 atoms in block 122
Block first atom: 964
Blocpdb> 8 atoms in block 123
Block first atom: 978
Blocpdb> 8 atoms in block 124
Block first atom: 986
Blocpdb> 11 atoms in block 125
Block first atom: 994
Blocpdb> 11 atoms in block 126
Block first atom: 1005
Blocpdb> 11 atoms in block 127
Block first atom: 1016
Blocpdb> 11 atoms in block 128
Block first atom: 1027
Blocpdb> 11 atoms in block 129
Block first atom: 1038
Blocpdb> 11 atoms in block 130
Block first atom: 1049
Blocpdb> 7 atoms in block 131
Block first atom: 1060
Blocpdb> 19 atoms in block 132
Block first atom: 1067
Blocpdb> 19 atoms in block 133
Block first atom: 1086
Blocpdb> 19 atoms in block 134
Block first atom: 1105
Blocpdb> 20 atoms in block 135
Block first atom: 1124
Blocpdb> 20 atoms in block 136
Block first atom: 1144
Blocpdb> 19 atoms in block 137
Block first atom: 1164
Blocpdb> 22 atoms in block 138
Block first atom: 1183
Blocpdb> 20 atoms in block 139
Block first atom: 1205
Blocpdb> 20 atoms in block 140
Block first atom: 1225
Blocpdb> 22 atoms in block 141
Block first atom: 1245
Blocpdb> 22 atoms in block 142
Block first atom: 1267
Blocpdb> 21 atoms in block 143
Block first atom: 1289
Blocpdb> 21 atoms in block 144
Block first atom: 1310
Blocpdb> 21 atoms in block 145
Block first atom: 1331
Blocpdb> 19 atoms in block 146
Block first atom: 1352
Blocpdb> 22 atoms in block 147
Block first atom: 1371
Blocpdb> 22 atoms in block 148
Block first atom: 1393
Blocpdb> 22 atoms in block 149
Block first atom: 1415
Blocpdb> 21 atoms in block 150
Block first atom: 1437
Blocpdb> 20 atoms in block 151
Block first atom: 1458
Blocpdb> 20 atoms in block 152
Block first atom: 1478
Blocpdb> 18 atoms in block 153
Block first atom: 1498
Blocpdb> 21 atoms in block 154
Block first atom: 1516
Blocpdb> 20 atoms in block 155
Block first atom: 1537
Blocpdb> 19 atoms in block 156
Block first atom: 1557
Blocpdb> 19 atoms in block 157
Block first atom: 1576
Blocpdb> 19 atoms in block 158
Block first atom: 1595
Blocpdb> 22 atoms in block 159
Block first atom: 1614
Blocpdb> 20 atoms in block 160
Block first atom: 1636
Blocpdb> 20 atoms in block 161
Block first atom: 1656
Blocpdb> 20 atoms in block 162
Block first atom: 1676
Blocpdb> 19 atoms in block 163
Block first atom: 1696
Blocpdb> 19 atoms in block 164
Block first atom: 1715
Blocpdb> 21 atoms in block 165
Block first atom: 1734
Blocpdb> 21 atoms in block 166
Block first atom: 1755
Blocpdb> 19 atoms in block 167
Block first atom: 1776
Blocpdb> 22 atoms in block 168
Block first atom: 1795
Blocpdb> 21 atoms in block 169
Block first atom: 1817
Blocpdb> 21 atoms in block 170
Block first atom: 1838
Blocpdb> 22 atoms in block 171
Block first atom: 1859
Blocpdb> 22 atoms in block 172
Block first atom: 1881
Blocpdb> 19 atoms in block 173
Block first atom: 1902
Blocpdb> 173 blocks.
Blocpdb> At most, 22 atoms in each of them.
Blocpdb> At least, 4 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> 700129 matrix lines read.
Prepmat> Matrix order = 5763
Prepmat> Matrix trace = 1530100.0000
Prepmat> Last element read: 5763 5763 245.2238
Prepmat> 15052 lines saved.
Prepmat> 13152 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: 1921
RTB> Total mass = 1921.0000
RTB> Number of atoms found in matrix: 1921
RTB> Number of blocks = 173
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 239604.3601
RTB> 65769 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 = 1038
Diagstd> Nb of non-zero elements: 65769
Diagstd> Projected matrix trace = 239604.3601
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1038 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 239604.3601
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 0.5699035 0.8069658 0.8723796 1.7010130
2.1998921 3.5210987 4.1373967 4.2110562 4.9606492
5.3243645 5.9197425 6.5998883 7.1754138 7.6788217
7.8143074 8.9084022 10.2947456 11.0416614 11.4595639
12.1472624 12.2504593 12.5357012 13.1521888 14.0672041
15.4563285 15.9859341 16.7223009 16.9930780 17.1671009
17.8073383 18.4732517 18.8658190 19.0016978 21.4278369
22.3499757 22.7691099 23.5463962 23.8404074 24.1766632
24.8496600 26.2017614 26.7304379 26.8855505 27.3853852
28.0925567 28.7595113 29.1310847 29.5926495 30.1449733
30.8407084 31.5542663 32.0187308 32.5881534 32.8938005
33.3598019 34.3866709 34.4961673 35.3870533 35.5366926
36.0787638 36.8763482 37.7232213 38.1240276 38.6176602
39.1641887 39.9840682 40.5512963 41.3850274 41.7676460
42.3946225 43.0089531 43.7929668 44.3291228 45.1508801
45.6021042 46.1866414 46.6723599 47.5595259 48.2664974
48.4585694 49.3518318 49.5214689 49.9157673 50.5315913
51.1988896 52.1098687 52.6565652 53.5109839 53.7871986
54.4844623 54.6435610 55.4069799 55.8652845 56.7301043
57.3035208 57.9257542 59.6490285 59.8717466 60.5908105
60.8183878
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034328 0.0034330 0.0034332 0.0034341 0.0034346
0.0034352 81.9777369 97.5490063 101.4257035 141.6279920
161.0630682 203.7672476 220.8812566 222.8387934 241.8602719
250.5700556 264.2084411 278.9738999 290.8832781 300.9141233
303.5571923 324.1120586 348.4200100 360.8381880 367.6032363
378.4726383 380.0768921 384.4763202 393.8168538 407.2857116
426.9219156 434.1744761 444.0616797 447.6424934 449.9287651
458.2418868 466.7313293 471.6644152 473.3599203 502.6717124
513.3739265 518.1652770 526.9355556 530.2151301 533.9412333
541.3217859 555.8537295 561.4334924 563.0600922 568.2699709
575.5604100 582.3526166 586.1025460 590.7275229 596.2147723
603.0557364 609.9922591 614.4652638 619.9050241 622.8053106
627.2013898 636.7813666 637.7944020 645.9776326 647.3419967
652.2605386 659.4308090 666.9598118 670.4936478 674.8204868
679.5788398 686.6552900 691.5087047 698.5812156 701.8030959
707.0508792 712.1553082 718.6169622 723.0025835 729.6731916
733.3101924 737.9950881 741.8654754 748.8831145 754.4286491
755.9282477 762.8636453 764.1736166 767.2098253 771.9279528
777.0081090 783.8902624 787.9915193 794.3588686 796.4064028
801.5518393 802.7212817 808.3091953 811.6453180 817.9035090
822.0267178 826.4776790 838.6813155 840.2455947 845.2762396
846.8621680
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1921
Rtb_to_modes> Number of blocs = 173
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: 9.9934E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9943E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9957E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.5699
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.8070
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.8724
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.701
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 2.200
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 3.521
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 4.137
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 4.211
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 4.961
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.324
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.920
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 6.600
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 7.175
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 7.679
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.814
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.908
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 10.29
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.04
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 11.46
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 12.15
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 12.25
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 12.54
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 13.15
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 14.07
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 15.46
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 15.99
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 16.72
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 16.99
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 17.17
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 17.81
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 18.47
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 18.87
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 19.00
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 21.43
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 22.35
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 22.77
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 23.55
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 23.84
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 24.18
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 24.85
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 26.20
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 26.73
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 26.89
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 27.39
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 28.09
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 28.76
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 29.13
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 29.59
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 30.14
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 30.84
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 31.55
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 32.02
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 32.59
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 32.89
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 33.36
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 34.39
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 34.50
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 35.39
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 35.54
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 36.08
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 36.88
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 37.72
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 38.12
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 38.62
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 39.16
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 39.98
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 40.55
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 41.39
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 41.77
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 42.39
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 43.01
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 43.79
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 44.33
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 45.15
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 45.60
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 46.19
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 46.67
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 47.56
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 48.27
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 48.46
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 49.35
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 49.52
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 49.92
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 50.53
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 51.20
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 52.11
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 52.66
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 53.51
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 53.79
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 54.48
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 54.64
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 55.41
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 55.87
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 56.73
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 57.30
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 57.93
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 59.65
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 59.87
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 60.59
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 60.82
Rtb_to_modes> 106 vectors, with 1038 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 1.00000 1.00000 1.00002
0.99998 0.99999 0.99995 1.00000 0.99999
1.00003 1.00001 0.99998 1.00001 1.00002
1.00002 1.00000 0.99997 0.99997 1.00001
1.00003 1.00002 1.00001 1.00000 0.99999
0.99999 1.00000 0.99998 1.00001 0.99999
1.00003 0.99998 1.00002 1.00001 0.99999
0.99997 1.00000 0.99997 1.00002 1.00003
0.99999 1.00000 1.00002 0.99999 1.00000
1.00001 1.00001 1.00000 1.00001 1.00002
1.00000 1.00002 1.00000 0.99999 1.00001
0.99998 0.99997 1.00000 1.00000 0.99999
0.99999 1.00004 0.99998 0.99998 0.99997
1.00002 0.99999 1.00000 1.00001 0.99999
1.00003 0.99998 1.00000 0.99998 0.99998
1.00001 0.99996 1.00001 1.00000 1.00002
0.99998 1.00001 0.99998 0.99998 1.00001
1.00001 1.00000 0.99999 1.00000 0.99999
0.99998 0.99998 1.00001 1.00002 0.99998
1.00000 0.99999 1.00002 1.00004 1.00000
1.00000 1.00000 1.00001 1.00002 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 34578 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99999 1.00000 1.00000 1.00002
0.99998 0.99999 0.99995 1.00000 0.99999
1.00003 1.00001 0.99998 1.00001 1.00002
1.00002 1.00000 0.99997 0.99997 1.00001
1.00003 1.00002 1.00001 1.00000 0.99999
0.99999 1.00000 0.99998 1.00001 0.99999
1.00003 0.99998 1.00002 1.00001 0.99999
0.99997 1.00000 0.99997 1.00002 1.00003
0.99999 1.00000 1.00002 0.99999 1.00000
1.00001 1.00001 1.00000 1.00001 1.00002
1.00000 1.00002 1.00000 0.99999 1.00001
0.99998 0.99997 1.00000 1.00000 0.99999
0.99999 1.00004 0.99998 0.99998 0.99997
1.00002 0.99999 1.00000 1.00001 0.99999
1.00003 0.99998 1.00000 0.99998 0.99998
1.00001 0.99996 1.00001 1.00000 1.00002
0.99998 1.00001 0.99998 0.99998 1.00001
1.00001 1.00000 0.99999 1.00000 0.99999
0.99998 0.99998 1.00001 1.00002 0.99998
1.00000 0.99999 1.00002 1.00004 1.00000
1.00000 1.00000 1.00001 1.00002 0.99999
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3:-0.000-0.000
Vector 4: 0.000-0.000-0.000
Vector 5: 0.000 0.000 0.000 0.000
Vector 6:-0.000-0.000 0.000 0.000 0.000
Vector 7: 0.000 0.000-0.000-0.000-0.000-0.000
Vector 8: 0.000-0.000-0.000 0.000 0.000-0.000-0.000
Vector 9:-0.000 0.000 0.000-0.000 0.000 0.000-0.000-0.000
Vector 10:-0.000-0.000 0.000 0.000-0.000-0.000-0.000-0.000-0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2403301559411589666.eigenfacs
Openam> file on opening on unit 10:
2403301559411589666.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403301559411589666.atom
Openam> file on opening on unit 11:
2403301559411589666.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 = 173
First residue number = 1
Last residue number = 21
Number of atoms found = 1921
Mean number per residue = 11.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9943E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9957E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5699
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8070
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8724
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.701
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 2.200
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 3.521
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 4.137
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 4.211
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 4.961
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.324
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 6.600
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 7.175
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 7.679
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.814
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.908
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 10.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 11.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 12.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 12.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 12.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 13.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 14.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 15.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 15.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 16.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 16.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 17.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 17.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 18.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 18.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 19.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 21.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 22.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 22.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 23.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 23.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 24.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 24.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 26.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 26.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 26.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 27.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 28.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 28.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 29.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 29.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 30.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 30.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 31.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 32.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 32.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 32.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 33.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 34.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 34.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 35.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 35.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 36.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 36.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 37.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 38.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 38.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 39.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 39.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 40.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 41.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 41.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 42.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 43.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 43.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 44.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 45.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 45.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 46.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 46.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 47.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 48.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 48.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 49.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 49.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 49.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 50.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 51.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 52.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 52.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 53.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 53.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 54.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 54.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 55.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 55.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 56.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 57.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 57.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 59.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 59.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 60.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 60.82
Bfactors> 106 vectors, 5763 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 : 0.569900
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= 0.275 for 131 C-alpha atoms.
Bfactors> = 0.078 +/- 0.21
Bfactors> = 44.890 +/- 9.22
Bfactors> Shiftng-fct= 44.813
Bfactors> Scaling-fct= 43.913
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403301559411589666 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=0
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=100
2403301559411589666.eigenfacs
2403301559411589666.atom
making animated gifs
11 models are in 2403301559411589666.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2403301559411589666 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=0
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=100
2403301559411589666.eigenfacs
2403301559411589666.atom
making animated gifs
11 models are in 2403301559411589666.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2403301559411589666 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=0
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=100
2403301559411589666.eigenfacs
2403301559411589666.atom
making animated gifs
11 models are in 2403301559411589666.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2403301559411589666 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=0
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=100
2403301559411589666.eigenfacs
2403301559411589666.atom
making animated gifs
11 models are in 2403301559411589666.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2403301559411589666 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=-20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=0
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=20
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=40
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=60
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=80
2403301559411589666.eigenfacs
2403301559411589666.atom
calculating perturbed structure for DQ=100
2403301559411589666.eigenfacs
2403301559411589666.atom
making animated gifs
11 models are in 2403301559411589666.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2403301559411589666.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2403301559411589666.10.pdb
2403301559411589666.11.pdb
2403301559411589666.7.pdb
2403301559411589666.8.pdb
2403301559411589666.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m16.042s
user 0m15.957s
sys 0m0.060s
../../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: 2403301559411589666.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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