*** ***
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 = 2404021912582081504.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 2404021912582081504.atom to be opened.
Openam> File opened: 2404021912582081504.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 = 460
First residue number = 1
Last residue number = 460
Number of atoms found = 7444
Mean number per residue = 16.2
Pdbmat> Coordinate statistics:
= -61.144038 +/- 10.850399 From: -92.038000 To: -32.520000
= 24.126700 +/- 14.110032 From: -23.563000 To: 54.092000
= 25.961080 +/- 16.276203 From: -13.316000 To: 67.671000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.2259 % Filled.
Pdbmat> 5550626 non-zero elements.
Pdbmat> 611883 atom-atom interactions.
Pdbmat> Number per atom= 164.40 +/- 52.86
Maximum number = 260
Minimum number = 18
Pdbmat> Matrix trace = 1.223766E+07
Pdbmat> Larger element = 936.587
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
460 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404021912582081504.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404021912582081504.atom to be opened.
Openam> file on opening on unit 11:
2404021912582081504.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 7444 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 460 residues.
Blocpdb> 57 atoms in block 1
Block first atom: 1
Blocpdb> 49 atoms in block 2
Block first atom: 58
Blocpdb> 53 atoms in block 3
Block first atom: 107
Blocpdb> 50 atoms in block 4
Block first atom: 160
Blocpdb> 51 atoms in block 5
Block first atom: 210
Blocpdb> 58 atoms in block 6
Block first atom: 261
Blocpdb> 50 atoms in block 7
Block first atom: 319
Blocpdb> 47 atoms in block 8
Block first atom: 369
Blocpdb> 33 atoms in block 9
Block first atom: 416
Blocpdb> 49 atoms in block 10
Block first atom: 449
Blocpdb> 33 atoms in block 11
Block first atom: 498
Blocpdb> 41 atoms in block 12
Block first atom: 531
Blocpdb> 53 atoms in block 13
Block first atom: 572
Blocpdb> 32 atoms in block 14
Block first atom: 625
Blocpdb> 50 atoms in block 15
Block first atom: 657
Blocpdb> 56 atoms in block 16
Block first atom: 707
Blocpdb> 58 atoms in block 17
Block first atom: 763
Blocpdb> 33 atoms in block 18
Block first atom: 821
Blocpdb> 55 atoms in block 19
Block first atom: 854
Blocpdb> 57 atoms in block 20
Block first atom: 909
Blocpdb> 40 atoms in block 21
Block first atom: 966
Blocpdb> 42 atoms in block 22
Block first atom: 1006
Blocpdb> 54 atoms in block 23
Block first atom: 1048
Blocpdb> 41 atoms in block 24
Block first atom: 1102
Blocpdb> 46 atoms in block 25
Block first atom: 1143
Blocpdb> 45 atoms in block 26
Block first atom: 1189
Blocpdb> 40 atoms in block 27
Block first atom: 1234
Blocpdb> 41 atoms in block 28
Block first atom: 1274
Blocpdb> 49 atoms in block 29
Block first atom: 1315
Blocpdb> 51 atoms in block 30
Block first atom: 1364
Blocpdb> 52 atoms in block 31
Block first atom: 1415
Blocpdb> 37 atoms in block 32
Block first atom: 1467
Blocpdb> 55 atoms in block 33
Block first atom: 1504
Blocpdb> 49 atoms in block 34
Block first atom: 1559
Blocpdb> 44 atoms in block 35
Block first atom: 1608
Blocpdb> 50 atoms in block 36
Block first atom: 1652
Blocpdb> 41 atoms in block 37
Block first atom: 1702
Blocpdb> 48 atoms in block 38
Block first atom: 1743
Blocpdb> 63 atoms in block 39
Block first atom: 1791
Blocpdb> 28 atoms in block 40
Block first atom: 1854
Blocpdb> 60 atoms in block 41
Block first atom: 1882
Blocpdb> 46 atoms in block 42
Block first atom: 1942
Blocpdb> 57 atoms in block 43
Block first atom: 1988
Blocpdb> 51 atoms in block 44
Block first atom: 2045
Blocpdb> 38 atoms in block 45
Block first atom: 2096
Blocpdb> 60 atoms in block 46
Block first atom: 2134
Blocpdb> 54 atoms in block 47
Block first atom: 2194
Blocpdb> 55 atoms in block 48
Block first atom: 2248
Blocpdb> 28 atoms in block 49
Block first atom: 2303
Blocpdb> 54 atoms in block 50
Block first atom: 2331
Blocpdb> 38 atoms in block 51
Block first atom: 2385
Blocpdb> 41 atoms in block 52
Block first atom: 2423
Blocpdb> 51 atoms in block 53
Block first atom: 2464
Blocpdb> 59 atoms in block 54
Block first atom: 2515
Blocpdb> 54 atoms in block 55
Block first atom: 2574
Blocpdb> 48 atoms in block 56
Block first atom: 2628
Blocpdb> 58 atoms in block 57
Block first atom: 2676
Blocpdb> 53 atoms in block 58
Block first atom: 2734
Blocpdb> 46 atoms in block 59
Block first atom: 2787
Blocpdb> 49 atoms in block 60
Block first atom: 2833
Blocpdb> 56 atoms in block 61
Block first atom: 2882
Blocpdb> 42 atoms in block 62
Block first atom: 2938
Blocpdb> 32 atoms in block 63
Block first atom: 2980
Blocpdb> 32 atoms in block 64
Block first atom: 3012
Blocpdb> 48 atoms in block 65
Block first atom: 3044
Blocpdb> 50 atoms in block 66
Block first atom: 3092
Blocpdb> 50 atoms in block 67
Block first atom: 3142
Blocpdb> 51 atoms in block 68
Block first atom: 3192
Blocpdb> 38 atoms in block 69
Block first atom: 3243
Blocpdb> 49 atoms in block 70
Block first atom: 3281
Blocpdb> 35 atoms in block 71
Block first atom: 3330
Blocpdb> 44 atoms in block 72
Block first atom: 3365
Blocpdb> 53 atoms in block 73
Block first atom: 3409
Blocpdb> 57 atoms in block 74
Block first atom: 3462
Blocpdb> 53 atoms in block 75
Block first atom: 3519
Blocpdb> 59 atoms in block 76
Block first atom: 3572
Blocpdb> 49 atoms in block 77
Block first atom: 3631
Blocpdb> 37 atoms in block 78
Block first atom: 3680
Blocpdb> 55 atoms in block 79
Block first atom: 3717
Blocpdb> 47 atoms in block 80
Block first atom: 3772
Blocpdb> 55 atoms in block 81
Block first atom: 3819
Blocpdb> 33 atoms in block 82
Block first atom: 3874
Blocpdb> 43 atoms in block 83
Block first atom: 3907
Blocpdb> 58 atoms in block 84
Block first atom: 3950
Blocpdb> 46 atoms in block 85
Block first atom: 4008
Blocpdb> 50 atoms in block 86
Block first atom: 4054
Blocpdb> 39 atoms in block 87
Block first atom: 4104
Blocpdb> 57 atoms in block 88
Block first atom: 4143
Blocpdb> 51 atoms in block 89
Block first atom: 4200
Blocpdb> 55 atoms in block 90
Block first atom: 4251
Blocpdb> 50 atoms in block 91
Block first atom: 4306
Blocpdb> 54 atoms in block 92
Block first atom: 4356
Blocpdb> 53 atoms in block 93
Block first atom: 4410
Blocpdb> 31 atoms in block 94
Block first atom: 4463
Blocpdb> 44 atoms in block 95
Block first atom: 4494
Blocpdb> 39 atoms in block 96
Block first atom: 4538
Blocpdb> 40 atoms in block 97
Block first atom: 4577
Blocpdb> 56 atoms in block 98
Block first atom: 4617
Blocpdb> 47 atoms in block 99
Block first atom: 4673
Blocpdb> 56 atoms in block 100
Block first atom: 4720
Blocpdb> 45 atoms in block 101
Block first atom: 4776
Blocpdb> 45 atoms in block 102
Block first atom: 4821
Blocpdb> 55 atoms in block 103
Block first atom: 4866
Blocpdb> 49 atoms in block 104
Block first atom: 4921
Blocpdb> 45 atoms in block 105
Block first atom: 4970
Blocpdb> 39 atoms in block 106
Block first atom: 5015
Blocpdb> 43 atoms in block 107
Block first atom: 5054
Blocpdb> 53 atoms in block 108
Block first atom: 5097
Blocpdb> 44 atoms in block 109
Block first atom: 5150
Blocpdb> 67 atoms in block 110
Block first atom: 5194
Blocpdb> 62 atoms in block 111
Block first atom: 5261
Blocpdb> 53 atoms in block 112
Block first atom: 5323
Blocpdb> 56 atoms in block 113
Block first atom: 5376
Blocpdb> 52 atoms in block 114
Block first atom: 5432
Blocpdb> 43 atoms in block 115
Block first atom: 5484
Blocpdb> 47 atoms in block 116
Block first atom: 5527
Blocpdb> 55 atoms in block 117
Block first atom: 5574
Blocpdb> 45 atoms in block 118
Block first atom: 5629
Blocpdb> 50 atoms in block 119
Block first atom: 5674
Blocpdb> 51 atoms in block 120
Block first atom: 5724
Blocpdb> 46 atoms in block 121
Block first atom: 5775
Blocpdb> 42 atoms in block 122
Block first atom: 5821
Blocpdb> 48 atoms in block 123
Block first atom: 5863
Blocpdb> 48 atoms in block 124
Block first atom: 5911
Blocpdb> 52 atoms in block 125
Block first atom: 5959
Blocpdb> 52 atoms in block 126
Block first atom: 6011
Blocpdb> 37 atoms in block 127
Block first atom: 6063
Blocpdb> 51 atoms in block 128
Block first atom: 6100
Blocpdb> 49 atoms in block 129
Block first atom: 6151
Blocpdb> 45 atoms in block 130
Block first atom: 6200
Blocpdb> 48 atoms in block 131
Block first atom: 6245
Blocpdb> 65 atoms in block 132
Block first atom: 6293
Blocpdb> 65 atoms in block 133
Block first atom: 6358
Blocpdb> 57 atoms in block 134
Block first atom: 6423
Blocpdb> 39 atoms in block 135
Block first atom: 6480
Blocpdb> 50 atoms in block 136
Block first atom: 6519
Blocpdb> 42 atoms in block 137
Block first atom: 6569
Blocpdb> 52 atoms in block 138
Block first atom: 6611
Blocpdb> 49 atoms in block 139
Block first atom: 6663
Blocpdb> 48 atoms in block 140
Block first atom: 6712
Blocpdb> 45 atoms in block 141
Block first atom: 6760
Blocpdb> 60 atoms in block 142
Block first atom: 6805
Blocpdb> 47 atoms in block 143
Block first atom: 6865
Blocpdb> 45 atoms in block 144
Block first atom: 6912
Blocpdb> 57 atoms in block 145
Block first atom: 6957
Blocpdb> 55 atoms in block 146
Block first atom: 7014
Blocpdb> 52 atoms in block 147
Block first atom: 7069
Blocpdb> 50 atoms in block 148
Block first atom: 7121
Blocpdb> 51 atoms in block 149
Block first atom: 7171
Blocpdb> 51 atoms in block 150
Block first atom: 7222
Blocpdb> 55 atoms in block 151
Block first atom: 7273
Blocpdb> 46 atoms in block 152
Block first atom: 7328
Blocpdb> 59 atoms in block 153
Block first atom: 7374
Blocpdb> 12 atoms in block 154
Block first atom: 7432
Blocpdb> 154 blocks.
Blocpdb> At most, 67 atoms in each of them.
Blocpdb> At least, 12 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> 5550780 matrix lines read.
Prepmat> Matrix order = 22332
Prepmat> Matrix trace = 12237660.0000
Prepmat> Last element read: 22332 22332 173.6653
Prepmat> 11936 lines saved.
Prepmat> 10124 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: 7444
RTB> Total mass = 7444.0000
RTB> Number of atoms found in matrix: 7444
RTB> Number of blocks = 154
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 399556.9808
RTB> 62886 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 = 924
Diagstd> Nb of non-zero elements: 62886
Diagstd> Projected matrix trace = 399556.9808
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 924 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 399556.9808
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 0.6948828 0.9684195 1.9642294 2.5645778
4.3662121 5.0376833 7.4449835 8.4096128 10.1861159
12.9337683 15.1750217 16.2914250 17.8887544 18.0330700
18.8478725 21.5035366 23.3620901 24.4486208 25.1461783
26.2196985 27.5345449 29.1716718 30.2159179 30.8602800
31.8991040 35.0650912 36.7228506 37.7340509 38.7674715
40.2081793 40.9640850 41.5807976 42.6453430 43.1694894
45.5919218 47.5552087 48.3621659 50.1624211 51.4882678
53.0655839 53.5802874 54.8300085 55.5678567 57.6316609
59.5499566 61.0616536 61.6371328 62.8735522 65.2939876
66.3081769 67.5608682 68.4030258 69.1915347 70.3744338
70.8640036 71.9964054 73.0283716 74.4166676 75.8000828
77.7617914 78.2386590 78.7308756 80.7384211 81.8883376
83.7863342 84.0533096 84.9538521 87.8649376 89.4289487
90.1973103 91.5049497 94.1720565 96.4346046 97.0682441
98.1876893 98.5641391 99.9094723 101.2745934 101.7065559
102.9782976 104.5392853 104.9771294 105.9212565 107.0655200
108.2573551 108.7613508 109.9849640 111.3829282 113.1453382
114.3990579 115.2203915 117.1802871 117.8011516 119.1015146
120.6641927 121.5891286 122.4239005 123.5502397 124.9879523
126.3952055
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034321 0.0034325 0.0034329 0.0034335 0.0034337
0.0034343 90.5213601 106.8629218 152.1918453 173.9014561
226.9068954 243.7309674 296.2969284 314.9077005 346.5768802
390.5330733 423.0190645 438.3033770 459.2882456 461.1371536
471.4400210 503.5588425 524.8692467 536.9359253 544.5418662
556.0439590 569.8154646 586.5107006 596.9159400 603.2470559
613.3163223 643.0322680 658.0569396 667.0555402 676.1281509
688.5769553 695.0193722 700.2315713 709.1385360 713.4831750
733.2283189 748.8491242 755.1759517 769.1030346 779.2008562
791.0460275 794.8730994 804.0895851 809.4818269 824.3769652
837.9845374 848.5541482 852.5433958 861.0518006 877.4691907
884.2576465 892.5712442 898.1170407 903.2786846 910.9671938
914.1303387 921.4052601 927.9852826 936.7644250 945.4316133
957.5873684 960.5190425 963.5357236 975.7429147 982.6668545
993.9896792 995.5720359 1000.8910790 1017.8952382 1026.9146346
1031.3167555 1038.7656348 1053.7954218 1066.3793641 1069.8770391
1076.0285641 1078.0893274 1085.4219827 1092.8121989 1095.1402833
1101.9658459 1110.2864598 1112.6091488 1117.6011556 1123.6216420
1129.8583158 1132.4853086 1138.8379704 1146.0527190 1155.0841188
1161.4660085 1165.6279525 1175.4997989 1178.6098009 1185.0970648
1192.8462953 1197.4093727 1201.5127573 1207.0272541 1214.0298267
1220.8451448
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 7444
Rtb_to_modes> Number of blocs = 154
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: 9.9889E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9915E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9941E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9985E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.6949
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.9684
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.964
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 2.565
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.366
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 5.038
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.445
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 8.410
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 10.19
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 12.93
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 15.18
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 16.29
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 17.89
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 18.03
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 18.85
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 21.50
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 23.36
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 24.45
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 25.15
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 26.22
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 27.53
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 29.17
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 30.22
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 30.86
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 31.90
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 35.07
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 36.72
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 37.73
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 38.77
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 40.21
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 40.96
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 41.58
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 42.65
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 43.17
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 45.59
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 47.56
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 48.36
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 50.16
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 51.49
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 53.07
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 53.58
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 54.83
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 55.57
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 57.63
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 59.55
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 61.06
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 61.64
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 62.87
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 65.29
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 66.31
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 67.56
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 68.40
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 69.19
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 70.37
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 70.86
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 72.00
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 73.03
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 74.42
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 75.80
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 77.76
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 78.24
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 78.73
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 80.74
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 81.89
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 83.79
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 84.05
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 84.95
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 87.86
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 89.43
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 90.20
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 91.50
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 94.17
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 96.43
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 97.07
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 98.19
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 98.56
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 99.91
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 101.3
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 101.7
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 103.0
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 104.5
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 105.0
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 105.9
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 107.1
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 108.3
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 108.8
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 110.0
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 111.4
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 113.1
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 114.4
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 115.2
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 117.2
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 117.8
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 119.1
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 120.7
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 121.6
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 122.4
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 123.6
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 125.0
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 126.4
Rtb_to_modes> 106 vectors, with 924 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 0.99999 1.00001 1.00000 1.00000
1.00000 1.00001 0.99997 1.00002 0.99997
0.99998 0.99998 1.00000 1.00000 1.00001
1.00000 0.99997 0.99999 1.00002 1.00000
1.00000 1.00000 0.99998 1.00003 0.99997
0.99997 0.99998 1.00001 1.00001 1.00000
0.99998 1.00001 0.99999 0.99995 1.00001
0.99997 0.99996 0.99998 1.00002 1.00001
1.00004 1.00000 1.00001 0.99998 1.00002
1.00000 1.00002 1.00000 1.00001 0.99996
1.00001 1.00000 1.00000 1.00005 0.99998
1.00000 1.00000 1.00000 1.00001 1.00000
1.00003 0.99997 1.00001 1.00002 1.00004
1.00002 1.00001 1.00000 1.00001 1.00000
1.00000 1.00001 0.99997 1.00002 0.99999
1.00000 0.99999 0.99998 1.00000 1.00000
1.00002 0.99999 1.00002 0.99998 0.99997
0.99998 1.00001 1.00000 1.00000 1.00000
0.99998 0.99999 1.00001 1.00000 0.99998
0.99999 0.99998 0.99999 1.00001 0.99996
0.99999 0.99999 1.00001 1.00000 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 133992 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 0.99999 1.00001 1.00000 1.00000
1.00000 1.00001 0.99997 1.00002 0.99997
0.99998 0.99998 1.00000 1.00000 1.00001
1.00000 0.99997 0.99999 1.00002 1.00000
1.00000 1.00000 0.99998 1.00003 0.99997
0.99997 0.99998 1.00001 1.00001 1.00000
0.99998 1.00001 0.99999 0.99995 1.00001
0.99997 0.99996 0.99998 1.00002 1.00001
1.00004 1.00000 1.00001 0.99998 1.00002
1.00000 1.00002 1.00000 1.00001 0.99996
1.00001 1.00000 1.00000 1.00005 0.99998
1.00000 1.00000 1.00000 1.00001 1.00000
1.00003 0.99997 1.00001 1.00002 1.00004
1.00002 1.00001 1.00000 1.00001 1.00000
1.00000 1.00001 0.99997 1.00002 0.99999
1.00000 0.99999 0.99998 1.00000 1.00000
1.00002 0.99999 1.00002 0.99998 0.99997
0.99998 1.00001 1.00000 1.00000 1.00000
0.99998 0.99999 1.00001 1.00000 0.99998
0.99999 0.99998 0.99999 1.00001 0.99996
0.99999 0.99999 1.00001 1.00000 1.00000
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> 2404021912582081504.eigenfacs
Openam> file on opening on unit 10:
2404021912582081504.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404021912582081504.atom
Openam> file on opening on unit 11:
2404021912582081504.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 = 460
First residue number = 1
Last residue number = 460
Number of atoms found = 7444
Mean number per residue = 16.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9889E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9915E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9941E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9985E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6949
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9684
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.964
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 2.565
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 5.038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.445
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 8.410
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 10.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 12.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 15.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 16.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 17.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 18.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 18.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 21.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 23.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 24.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 25.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 26.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 27.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 29.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 30.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 30.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 31.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 35.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 36.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 37.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 38.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 40.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 40.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 41.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 42.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 43.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 45.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 47.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 48.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 50.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 51.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 53.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 53.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 54.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 55.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 57.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 59.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 61.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 61.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 62.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 65.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 66.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 67.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 68.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 69.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 70.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 70.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 72.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 73.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 74.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 75.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 77.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 78.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 78.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 80.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 81.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 83.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 84.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 84.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 87.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 89.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 90.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 91.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 94.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 96.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 97.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 98.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 98.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 99.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 101.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 101.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 104.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 105.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 105.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 107.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 108.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 108.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 110.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 111.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 113.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 114.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 115.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 117.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 117.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 120.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 121.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 122.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 123.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 125.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 126.4
Bfactors> 106 vectors, 22332 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 : 0.694900
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= -0.661 for 460 C-alpha atoms.
Bfactors> = 0.011 +/- 0.04
Bfactors> = 92.649 +/- 9.68
Bfactors> Shiftng-fct= 92.638
Bfactors> Scaling-fct= 226.922
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404021912582081504 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=0
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=100
2404021912582081504.eigenfacs
2404021912582081504.atom
making animated gifs
11 models are in 2404021912582081504.7.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 2404021912582081504.7.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 2404021912582081504.7.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 2404021912582081504 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=0
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=100
2404021912582081504.eigenfacs
2404021912582081504.atom
making animated gifs
11 models are in 2404021912582081504.8.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 2404021912582081504.8.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 2404021912582081504.8.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 2404021912582081504 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=0
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=100
2404021912582081504.eigenfacs
2404021912582081504.atom
making animated gifs
11 models are in 2404021912582081504.9.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 2404021912582081504.9.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 2404021912582081504.9.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 2404021912582081504 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=0
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=100
2404021912582081504.eigenfacs
2404021912582081504.atom
making animated gifs
11 models are in 2404021912582081504.10.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 2404021912582081504.10.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 2404021912582081504.10.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 2404021912582081504 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=-20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=0
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=20
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=40
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=60
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=80
2404021912582081504.eigenfacs
2404021912582081504.atom
calculating perturbed structure for DQ=100
2404021912582081504.eigenfacs
2404021912582081504.atom
making animated gifs
11 models are in 2404021912582081504.11.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 2404021912582081504.11.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 2404021912582081504.11.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
2404021912582081504.10.pdb
2404021912582081504.11.pdb
2404021912582081504.7.pdb
2404021912582081504.8.pdb
2404021912582081504.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m30.574s
user 0m30.421s
sys 0m0.152s
../../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: 2404021912582081504.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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