*** NMA_rosettafold_L12 ***
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 = 2403040903211503618.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 2403040903211503618.atom to be opened.
Openam> File opened: 2403040903211503618.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 = 657
First residue number = 1
Last residue number = 657
Number of atoms found = 10355
Mean number per residue = 15.8
Pdbmat> Coordinate statistics:
= 59.837454 +/- 33.639803 From: -5.328000 To: 120.650000
= 31.904132 +/- 20.976146 From: -12.819000 To: 77.916000
= 15.281261 +/- 11.190331 From: -15.950000 To: 40.930000
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 1.5574 % Filled.
Pdbmat> 7514949 non-zero elements.
Pdbmat> 828221 atom-atom interactions.
Pdbmat> Number per atom= 159.97 +/- 49.94
Maximum number = 262
Minimum number = 17
Pdbmat> Matrix trace = 1.656442E+07
Pdbmat> Larger element = 949.142
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
657 non-zero elements, NRBL set to 4
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 = 2403040903211503618.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2403040903211503618.atom to be opened.
Openam> file on opening on unit 11:
2403040903211503618.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10355 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 657 residues.
Blocpdb> 62 atoms in block 1
Block first atom: 1
Blocpdb> 67 atoms in block 2
Block first atom: 63
Blocpdb> 69 atoms in block 3
Block first atom: 130
Blocpdb> 63 atoms in block 4
Block first atom: 199
Blocpdb> 60 atoms in block 5
Block first atom: 262
Blocpdb> 60 atoms in block 6
Block first atom: 322
Blocpdb> 68 atoms in block 7
Block first atom: 382
Blocpdb> 54 atoms in block 8
Block first atom: 450
Blocpdb> 73 atoms in block 9
Block first atom: 504
Blocpdb> 50 atoms in block 10
Block first atom: 577
Blocpdb> 55 atoms in block 11
Block first atom: 627
Blocpdb> 77 atoms in block 12
Block first atom: 682
Blocpdb> 70 atoms in block 13
Block first atom: 759
Blocpdb> 61 atoms in block 14
Block first atom: 829
Blocpdb> 65 atoms in block 15
Block first atom: 890
Blocpdb> 46 atoms in block 16
Block first atom: 955
Blocpdb> 75 atoms in block 17
Block first atom: 1001
Blocpdb> 51 atoms in block 18
Block first atom: 1076
Blocpdb> 61 atoms in block 19
Block first atom: 1127
Blocpdb> 72 atoms in block 20
Block first atom: 1188
Blocpdb> 67 atoms in block 21
Block first atom: 1260
Blocpdb> 70 atoms in block 22
Block first atom: 1327
Blocpdb> 55 atoms in block 23
Block first atom: 1397
Blocpdb> 70 atoms in block 24
Block first atom: 1452
Blocpdb> 51 atoms in block 25
Block first atom: 1522
Blocpdb> 72 atoms in block 26
Block first atom: 1573
Blocpdb> 59 atoms in block 27
Block first atom: 1645
Blocpdb> 51 atoms in block 28
Block first atom: 1704
Blocpdb> 65 atoms in block 29
Block first atom: 1755
Blocpdb> 52 atoms in block 30
Block first atom: 1820
Blocpdb> 77 atoms in block 31
Block first atom: 1872
Blocpdb> 66 atoms in block 32
Block first atom: 1949
Blocpdb> 63 atoms in block 33
Block first atom: 2015
Blocpdb> 56 atoms in block 34
Block first atom: 2078
Blocpdb> 64 atoms in block 35
Block first atom: 2134
Blocpdb> 77 atoms in block 36
Block first atom: 2198
Blocpdb> 65 atoms in block 37
Block first atom: 2275
Blocpdb> 64 atoms in block 38
Block first atom: 2340
Blocpdb> 67 atoms in block 39
Block first atom: 2404
Blocpdb> 55 atoms in block 40
Block first atom: 2471
Blocpdb> 72 atoms in block 41
Block first atom: 2526
Blocpdb> 61 atoms in block 42
Block first atom: 2598
Blocpdb> 48 atoms in block 43
Block first atom: 2659
Blocpdb> 68 atoms in block 44
Block first atom: 2707
Blocpdb> 66 atoms in block 45
Block first atom: 2775
Blocpdb> 65 atoms in block 46
Block first atom: 2841
Blocpdb> 57 atoms in block 47
Block first atom: 2906
Blocpdb> 62 atoms in block 48
Block first atom: 2963
Blocpdb> 70 atoms in block 49
Block first atom: 3025
Blocpdb> 51 atoms in block 50
Block first atom: 3095
Blocpdb> 66 atoms in block 51
Block first atom: 3146
Blocpdb> 72 atoms in block 52
Block first atom: 3212
Blocpdb> 46 atoms in block 53
Block first atom: 3284
Blocpdb> 75 atoms in block 54
Block first atom: 3330
Blocpdb> 72 atoms in block 55
Block first atom: 3405
Blocpdb> 63 atoms in block 56
Block first atom: 3477
Blocpdb> 79 atoms in block 57
Block first atom: 3540
Blocpdb> 69 atoms in block 58
Block first atom: 3619
Blocpdb> 63 atoms in block 59
Block first atom: 3688
Blocpdb> 55 atoms in block 60
Block first atom: 3751
Blocpdb> 68 atoms in block 61
Block first atom: 3806
Blocpdb> 74 atoms in block 62
Block first atom: 3874
Blocpdb> 64 atoms in block 63
Block first atom: 3948
Blocpdb> 49 atoms in block 64
Block first atom: 4012
Blocpdb> 76 atoms in block 65
Block first atom: 4061
Blocpdb> 84 atoms in block 66
Block first atom: 4137
Blocpdb> 64 atoms in block 67
Block first atom: 4221
Blocpdb> 64 atoms in block 68
Block first atom: 4285
Blocpdb> 51 atoms in block 69
Block first atom: 4349
Blocpdb> 64 atoms in block 70
Block first atom: 4400
Blocpdb> 59 atoms in block 71
Block first atom: 4464
Blocpdb> 60 atoms in block 72
Block first atom: 4523
Blocpdb> 67 atoms in block 73
Block first atom: 4583
Blocpdb> 67 atoms in block 74
Block first atom: 4650
Blocpdb> 59 atoms in block 75
Block first atom: 4717
Blocpdb> 66 atoms in block 76
Block first atom: 4776
Blocpdb> 61 atoms in block 77
Block first atom: 4842
Blocpdb> 51 atoms in block 78
Block first atom: 4903
Blocpdb> 71 atoms in block 79
Block first atom: 4954
Blocpdb> 75 atoms in block 80
Block first atom: 5025
Blocpdb> 38 atoms in block 81
Block first atom: 5100
Blocpdb> 32 atoms in block 82
Block first atom: 5138
Blocpdb> 32 atoms in block 83
Block first atom: 5170
Blocpdb> 44 atoms in block 84
Block first atom: 5202
Blocpdb> 60 atoms in block 85
Block first atom: 5246
Blocpdb> 67 atoms in block 86
Block first atom: 5306
Blocpdb> 69 atoms in block 87
Block first atom: 5373
Blocpdb> 63 atoms in block 88
Block first atom: 5442
Blocpdb> 60 atoms in block 89
Block first atom: 5505
Blocpdb> 60 atoms in block 90
Block first atom: 5565
Blocpdb> 68 atoms in block 91
Block first atom: 5625
Blocpdb> 54 atoms in block 92
Block first atom: 5693
Blocpdb> 73 atoms in block 93
Block first atom: 5747
Blocpdb> 50 atoms in block 94
Block first atom: 5820
Blocpdb> 55 atoms in block 95
Block first atom: 5870
Blocpdb> 77 atoms in block 96
Block first atom: 5925
Blocpdb> 70 atoms in block 97
Block first atom: 6002
Blocpdb> 61 atoms in block 98
Block first atom: 6072
Blocpdb> 65 atoms in block 99
Block first atom: 6133
Blocpdb> 46 atoms in block 100
Block first atom: 6198
Blocpdb> 75 atoms in block 101
Block first atom: 6244
Blocpdb> 51 atoms in block 102
Block first atom: 6319
Blocpdb> 61 atoms in block 103
Block first atom: 6370
Blocpdb> 72 atoms in block 104
Block first atom: 6431
Blocpdb> 67 atoms in block 105
Block first atom: 6503
Blocpdb> 71 atoms in block 106
Block first atom: 6570
Blocpdb> 55 atoms in block 107
Block first atom: 6641
Blocpdb> 70 atoms in block 108
Block first atom: 6696
Blocpdb> 51 atoms in block 109
Block first atom: 6766
Blocpdb> 72 atoms in block 110
Block first atom: 6817
Blocpdb> 59 atoms in block 111
Block first atom: 6889
Blocpdb> 51 atoms in block 112
Block first atom: 6948
Blocpdb> 65 atoms in block 113
Block first atom: 6999
Blocpdb> 53 atoms in block 114
Block first atom: 7064
Blocpdb> 77 atoms in block 115
Block first atom: 7117
Blocpdb> 66 atoms in block 116
Block first atom: 7194
Blocpdb> 63 atoms in block 117
Block first atom: 7260
Blocpdb> 56 atoms in block 118
Block first atom: 7323
Blocpdb> 64 atoms in block 119
Block first atom: 7379
Blocpdb> 77 atoms in block 120
Block first atom: 7443
Blocpdb> 65 atoms in block 121
Block first atom: 7520
Blocpdb> 64 atoms in block 122
Block first atom: 7585
Blocpdb> 67 atoms in block 123
Block first atom: 7649
Blocpdb> 55 atoms in block 124
Block first atom: 7716
Blocpdb> 72 atoms in block 125
Block first atom: 7771
Blocpdb> 61 atoms in block 126
Block first atom: 7843
Blocpdb> 48 atoms in block 127
Block first atom: 7904
Blocpdb> 68 atoms in block 128
Block first atom: 7952
Blocpdb> 66 atoms in block 129
Block first atom: 8020
Blocpdb> 65 atoms in block 130
Block first atom: 8086
Blocpdb> 57 atoms in block 131
Block first atom: 8151
Blocpdb> 62 atoms in block 132
Block first atom: 8208
Blocpdb> 70 atoms in block 133
Block first atom: 8270
Blocpdb> 51 atoms in block 134
Block first atom: 8340
Blocpdb> 66 atoms in block 135
Block first atom: 8391
Blocpdb> 72 atoms in block 136
Block first atom: 8457
Blocpdb> 46 atoms in block 137
Block first atom: 8529
Blocpdb> 75 atoms in block 138
Block first atom: 8575
Blocpdb> 72 atoms in block 139
Block first atom: 8650
Blocpdb> 63 atoms in block 140
Block first atom: 8722
Blocpdb> 79 atoms in block 141
Block first atom: 8785
Blocpdb> 69 atoms in block 142
Block first atom: 8864
Blocpdb> 63 atoms in block 143
Block first atom: 8933
Blocpdb> 55 atoms in block 144
Block first atom: 8996
Blocpdb> 68 atoms in block 145
Block first atom: 9051
Blocpdb> 74 atoms in block 146
Block first atom: 9119
Blocpdb> 64 atoms in block 147
Block first atom: 9193
Blocpdb> 49 atoms in block 148
Block first atom: 9257
Blocpdb> 76 atoms in block 149
Block first atom: 9306
Blocpdb> 84 atoms in block 150
Block first atom: 9382
Blocpdb> 64 atoms in block 151
Block first atom: 9466
Blocpdb> 64 atoms in block 152
Block first atom: 9530
Blocpdb> 51 atoms in block 153
Block first atom: 9594
Blocpdb> 64 atoms in block 154
Block first atom: 9645
Blocpdb> 59 atoms in block 155
Block first atom: 9709
Blocpdb> 60 atoms in block 156
Block first atom: 9768
Blocpdb> 67 atoms in block 157
Block first atom: 9828
Blocpdb> 67 atoms in block 158
Block first atom: 9895
Blocpdb> 59 atoms in block 159
Block first atom: 9962
Blocpdb> 66 atoms in block 160
Block first atom: 10021
Blocpdb> 61 atoms in block 161
Block first atom: 10087
Blocpdb> 51 atoms in block 162
Block first atom: 10148
Blocpdb> 71 atoms in block 163
Block first atom: 10199
Blocpdb> 75 atoms in block 164
Block first atom: 10270
Blocpdb> 11 atoms in block 165
Block first atom: 10344
Blocpdb> 165 blocks.
Blocpdb> At most, 84 atoms in each of them.
Blocpdb> At least, 11 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 7515114 matrix lines read.
Prepmat> Matrix order = 31065
Prepmat> Matrix trace = 16564420.0000
Prepmat> Last element read: 31065 31065 137.2490
Prepmat> 13696 lines saved.
Prepmat> 12134 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: 10355
RTB> Total mass = 10355.0000
RTB> Number of atoms found in matrix: 10355
RTB> Number of blocks = 165
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 386356.4261
RTB> 53721 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 = 990
Diagstd> Nb of non-zero elements: 53721
Diagstd> Projected matrix trace = 386356.4261
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 990 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 386356.4261
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 0.0917721 0.1072878 0.1407343 0.5051377
0.6652596 1.9495790 2.3987819 2.7468108 3.7106516
5.2460898 6.2511354 8.2371311 9.6877782 11.5113521
11.8837076 13.0079898 13.6903014 14.9610388 15.5185305
16.4882037 17.2674334 18.3931736 19.6257595 20.2491534
20.6528236 21.5476216 22.4300930 23.1237349 23.9962655
25.3479620 26.2729396 27.9103727 29.0901670 29.8110053
31.0000938 33.0563941 33.5281125 33.8145089 36.4206406
38.1401968 39.0360227 40.3039625 41.6854861 43.1920615
43.3902979 44.2573571 46.4206679 46.7475446 47.2025890
47.8047419 48.8824470 50.3750367 51.1259443 52.2176067
52.3647195 53.4559368 54.4383222 55.2730912 56.5587393
58.0160539 60.3880789 62.2564680 62.6894637 64.0263333
64.9928201 65.6122751 66.8035307 67.1542913 67.9242100
70.0229895 70.9696662 71.5586305 72.5481920 73.2601094
74.7075170 76.8453583 77.5108944 78.1379852 80.0749662
80.3208317 81.3225147 82.8474740 83.7984921 85.3104201
85.9570939 87.3114808 88.4719329 89.1278889 90.8518841
91.8372559 93.0299177 94.1184471 94.4515825 95.0509700
95.9597665 97.5951326 100.3004634 101.5705719 101.8197146
103.0030679
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034328 0.0034330 0.0034334 0.0034335 0.0034354
0.0034366 32.8965615 35.5689075 40.7375780 77.1791859
88.5708595 151.6232134 168.1863175 179.9739511 209.1801024
248.7213915 271.5030637 311.6615813 337.9927414 368.4329376
374.3443291 391.6520228 401.7924629 420.0259806 427.7800991
440.9424927 451.2416465 465.7186337 481.0702682 488.6509144
493.4975469 504.0747582 514.2932415 522.1848545 531.9454630
546.7223194 556.6082182 573.6910812 585.6907800 592.9029222
604.6120301 624.3426729 628.7816119 631.4614206 655.3436122
670.6358178 678.4659570 689.3966259 701.1125082 713.6696809
715.3055527 722.4171013 739.8624266 742.4627721 746.0676176
750.8112463 759.2271834 770.7312495 776.4543933 784.7001967
785.8047887 793.9501821 801.2123703 807.3319819 816.6672515
827.1216205 843.8609439 856.8159046 859.7903322 868.9096005
875.4431948 879.6052823 887.5544144 889.8814738 894.9681464
908.6896979 914.8115974 918.5996817 924.9293846 929.4564847
938.5932605 951.9279978 956.0413012 959.9008682 971.7256403
973.2163103 979.2660088 988.4049595 994.0617935 1002.9893477
1006.7836226 1014.6843389 1021.4051378 1025.1846386 1035.0521918
1040.6500980 1047.3856001 1053.4954319 1055.3582260 1058.7015695
1063.7507310 1072.7767673 1087.5437830 1094.4079246 1095.7493406
1102.0983710
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10355
Rtb_to_modes> Number of blocs = 165
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: 9.9930E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9946E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9965E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9975E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0015E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.1772E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.1073
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1407
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.5051
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.6653
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.950
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.399
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.747
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 3.711
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.246
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 6.251
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 8.237
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 9.688
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 11.51
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 11.88
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 13.01
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 13.69
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 14.96
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 15.52
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.49
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 17.27
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 18.39
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 19.63
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 20.25
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 20.65
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 21.55
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 22.43
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 23.12
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 24.00
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 25.35
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 26.27
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 27.91
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 29.09
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 29.81
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 31.00
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 33.06
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 33.53
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 33.81
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 36.42
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 38.14
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 39.04
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 40.30
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 41.69
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 43.19
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 43.39
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 44.26
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 46.42
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 46.75
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 47.20
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 47.80
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 48.88
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 50.38
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 51.13
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 52.22
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 52.36
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 53.46
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 54.44
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 55.27
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 56.56
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 58.02
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 60.39
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 62.26
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 62.69
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 64.03
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 64.99
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 65.61
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 66.80
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 67.15
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 67.92
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 70.02
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 70.97
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 71.56
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 72.55
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 73.26
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 74.71
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 76.85
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 77.51
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 78.14
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 80.07
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 80.32
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 81.32
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 82.85
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 83.80
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 85.31
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 85.96
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 87.31
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 88.47
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 89.13
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 90.85
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 91.84
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 93.03
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 94.12
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 94.45
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 95.05
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 95.96
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 97.60
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 100.3
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 101.6
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 101.8
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 103.0
Rtb_to_modes> 106 vectors, with 990 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 0.99998
1.00000 1.00001 1.00000 0.99999 1.00000
0.99999 0.99999 0.99998 1.00003 1.00000
0.99999 1.00003 1.00000 1.00003 0.99999
0.99997 1.00000 1.00000 0.99999 0.99999
1.00006 1.00000 1.00000 0.99999 0.99999
1.00000 1.00002 1.00001 0.99998 0.99999
1.00000 1.00001 1.00003 0.99997 1.00000
0.99997 0.99998 1.00001 1.00002 0.99997
1.00000 0.99995 1.00001 1.00000 0.99999
0.99998 1.00002 0.99999 1.00001 1.00001
0.99997 0.99999 1.00001 1.00000 1.00003
1.00002 1.00000 1.00000 0.99999 1.00000
0.99995 1.00004 1.00000 0.99998 1.00002
0.99998 0.99998 1.00001 1.00004 1.00004
1.00000 0.99998 1.00001 1.00000 0.99995
1.00002 1.00002 0.99998 1.00002 1.00000
1.00000 1.00002 1.00000 0.99997 1.00002
1.00001 0.99999 1.00000 1.00001 1.00001
1.00005 0.99998 0.99999 1.00000 0.99999
1.00001 1.00000 0.99999 0.99999 0.99999
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 186390 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00001 1.00000 0.99998
1.00000 1.00001 1.00000 0.99999 1.00000
0.99999 0.99999 0.99998 1.00003 1.00000
0.99999 1.00003 1.00000 1.00003 0.99999
0.99997 1.00000 1.00000 0.99999 0.99999
1.00006 1.00000 1.00000 0.99999 0.99999
1.00000 1.00002 1.00001 0.99998 0.99999
1.00000 1.00001 1.00003 0.99997 1.00000
0.99997 0.99998 1.00001 1.00002 0.99997
1.00000 0.99995 1.00001 1.00000 0.99999
0.99998 1.00002 0.99999 1.00001 1.00001
0.99997 0.99999 1.00001 1.00000 1.00003
1.00002 1.00000 1.00000 0.99999 1.00000
0.99995 1.00004 1.00000 0.99998 1.00002
0.99998 0.99998 1.00001 1.00004 1.00004
1.00000 0.99998 1.00001 1.00000 0.99995
1.00002 1.00002 0.99998 1.00002 1.00000
1.00000 1.00002 1.00000 0.99997 1.00002
1.00001 0.99999 1.00000 1.00001 1.00001
1.00005 0.99998 0.99999 1.00000 0.99999
1.00001 1.00000 0.99999 0.99999 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> 2403040903211503618.eigenfacs
Openam> file on opening on unit 10:
2403040903211503618.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403040903211503618.atom
Openam> file on opening on unit 11:
2403040903211503618.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 = 657
First residue number = 1
Last residue number = 657
Number of atoms found = 10355
Mean number per residue = 15.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9930E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9946E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-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: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.1772E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1073
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1407
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5051
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6653
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.950
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.399
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.747
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 3.711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.246
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 6.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 8.237
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 9.688
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 11.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 11.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 13.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 13.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 14.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 15.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 17.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 18.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 19.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 20.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 21.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 22.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 23.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 24.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 25.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 26.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 27.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 29.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 29.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 31.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 33.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 33.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 33.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 36.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 38.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 39.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 40.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 41.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 43.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 43.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 44.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 46.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 46.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 47.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 47.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 48.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 50.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 51.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 52.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 52.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 53.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 54.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 55.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 56.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 58.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 60.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 62.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 62.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 64.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 64.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 65.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 66.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 67.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 67.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 70.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 70.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 71.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 72.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 73.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 74.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 76.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 77.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 78.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 80.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 80.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 81.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 82.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 83.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 85.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 85.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 87.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 88.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 89.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 90.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 91.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 93.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 94.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 94.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 95.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 95.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 97.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 100.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 101.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 101.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Bfactors> 106 vectors, 31065 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 : 0.091772
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= 0.308 for 657 C-alpha atoms.
Bfactors> = 0.051 +/- 0.03
Bfactors> = 1.676 +/- 0.96
Bfactors> Shiftng-fct= 1.625
Bfactors> Scaling-fct= 33.662
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403040903211503618 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=0
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=100
2403040903211503618.eigenfacs
2403040903211503618.atom
making animated gifs
11 models are in 2403040903211503618.7.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 2403040903211503618.7.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 2403040903211503618.7.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 2403040903211503618 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=0
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=100
2403040903211503618.eigenfacs
2403040903211503618.atom
making animated gifs
11 models are in 2403040903211503618.8.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 2403040903211503618.8.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 2403040903211503618.8.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 2403040903211503618 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=0
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=100
2403040903211503618.eigenfacs
2403040903211503618.atom
making animated gifs
11 models are in 2403040903211503618.9.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 2403040903211503618.9.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 2403040903211503618.9.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 2403040903211503618 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=0
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=100
2403040903211503618.eigenfacs
2403040903211503618.atom
making animated gifs
11 models are in 2403040903211503618.10.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 2403040903211503618.10.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 2403040903211503618.10.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 2403040903211503618 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=-20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=0
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=20
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=40
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=60
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=80
2403040903211503618.eigenfacs
2403040903211503618.atom
calculating perturbed structure for DQ=100
2403040903211503618.eigenfacs
2403040903211503618.atom
making animated gifs
11 models are in 2403040903211503618.11.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 2403040903211503618.11.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 2403040903211503618.11.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
2403040903211503618.10.pdb
2403040903211503618.11.pdb
2403040903211503618.7.pdb
2403040903211503618.8.pdb
2403040903211503618.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m51.135s
user 0m50.746s
sys 0m0.196s
../../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: 2403040903211503618.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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