*** 2htv_monomer ***
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 = 2404132040384056527.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 2404132040384056527.atom to be opened.
Openam> File opened: 2404132040384056527.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 = 382
First residue number = 82
Last residue number = 468
Number of atoms found = 2995
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 221.013328 +/- 10.894887 From: 192.129000 To: 244.690000
= 200.966086 +/- 11.006410 From: 174.270000 To: 227.869000
= 122.602336 +/- 11.428629 From: 97.323000 To: 153.400000
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 3.0325 % Filled.
Pdbmat> 1224221 non-zero elements.
Pdbmat> 134059 atom-atom interactions.
Pdbmat> Number per atom= 89.52 +/- 24.13
Maximum number = 142
Minimum number = 10
Pdbmat> Matrix trace = 2.681180E+06
Pdbmat> Larger element = 495.013
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
382 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404132040384056527.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404132040384056527.atom to be opened.
Openam> file on opening on unit 11:
2404132040384056527.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2995 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 382 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 16
Blocpdb> 12 atoms in block 3
Block first atom: 38
Blocpdb> 13 atoms in block 4
Block first atom: 50
Blocpdb> 16 atoms in block 5
Block first atom: 63
Blocpdb> 13 atoms in block 6
Block first atom: 79
Blocpdb> 16 atoms in block 7
Block first atom: 92
Blocpdb> 18 atoms in block 8
Block first atom: 108
Blocpdb> 12 atoms in block 9
Block first atom: 126
Blocpdb> 14 atoms in block 10
Block first atom: 138
Blocpdb> 17 atoms in block 11
Block first atom: 152
Blocpdb> 12 atoms in block 12
Block first atom: 169
Blocpdb> 19 atoms in block 13
Block first atom: 181
Blocpdb> 12 atoms in block 14
Block first atom: 200
Blocpdb> 17 atoms in block 15
Block first atom: 212
Blocpdb> 13 atoms in block 16
Block first atom: 229
Blocpdb> 18 atoms in block 17
Block first atom: 242
Blocpdb> 15 atoms in block 18
Block first atom: 260
Blocpdb> 20 atoms in block 19
Block first atom: 275
Blocpdb> 18 atoms in block 20
Block first atom: 295
Blocpdb> 14 atoms in block 21
Block first atom: 313
Blocpdb> 12 atoms in block 22
Block first atom: 327
Blocpdb> 16 atoms in block 23
Block first atom: 339
Blocpdb> 15 atoms in block 24
Block first atom: 355
Blocpdb> 18 atoms in block 25
Block first atom: 370
Blocpdb> 22 atoms in block 26
Block first atom: 388
Blocpdb> 15 atoms in block 27
Block first atom: 410
Blocpdb> 13 atoms in block 28
Block first atom: 425
Blocpdb> 13 atoms in block 29
Block first atom: 438
Blocpdb> 16 atoms in block 30
Block first atom: 451
Blocpdb> 17 atoms in block 31
Block first atom: 467
Blocpdb> 16 atoms in block 32
Block first atom: 484
Blocpdb> 12 atoms in block 33
Block first atom: 500
Blocpdb> 14 atoms in block 34
Block first atom: 512
Blocpdb> 17 atoms in block 35
Block first atom: 526
Blocpdb> 17 atoms in block 36
Block first atom: 543
Blocpdb> 18 atoms in block 37
Block first atom: 560
Blocpdb> 18 atoms in block 38
Block first atom: 578
Blocpdb> 16 atoms in block 39
Block first atom: 596
Blocpdb> 12 atoms in block 40
Block first atom: 612
Blocpdb> 15 atoms in block 41
Block first atom: 624
Blocpdb> 11 atoms in block 42
Block first atom: 639
Blocpdb> 12 atoms in block 43
Block first atom: 650
Blocpdb> 19 atoms in block 44
Block first atom: 662
Blocpdb> 14 atoms in block 45
Block first atom: 681
Blocpdb> 22 atoms in block 46
Block first atom: 695
Blocpdb> 15 atoms in block 47
Block first atom: 717
Blocpdb> 12 atoms in block 48
Block first atom: 732
Blocpdb> 20 atoms in block 49
Block first atom: 744
Blocpdb> 12 atoms in block 50
Block first atom: 764
Blocpdb> 11 atoms in block 51
Block first atom: 776
Blocpdb> 14 atoms in block 52
Block first atom: 787
Blocpdb> 11 atoms in block 53
Block first atom: 801
Blocpdb> 18 atoms in block 54
Block first atom: 812
Blocpdb> 15 atoms in block 55
Block first atom: 830
Blocpdb> 12 atoms in block 56
Block first atom: 845
Blocpdb> 15 atoms in block 57
Block first atom: 857
Blocpdb> 11 atoms in block 58
Block first atom: 872
Blocpdb> 13 atoms in block 59
Block first atom: 883
Blocpdb> 12 atoms in block 60
Block first atom: 896
Blocpdb> 12 atoms in block 61
Block first atom: 908
Blocpdb> 15 atoms in block 62
Block first atom: 920
Blocpdb> 21 atoms in block 63
Block first atom: 935
Blocpdb> 12 atoms in block 64
Block first atom: 956
Blocpdb> 16 atoms in block 65
Block first atom: 968
Blocpdb> 15 atoms in block 66
Block first atom: 984
Blocpdb> 15 atoms in block 67
Block first atom: 999
Blocpdb> 15 atoms in block 68
Block first atom: 1014
Blocpdb> 23 atoms in block 69
Block first atom: 1029
Blocpdb> 12 atoms in block 70
Block first atom: 1052
Blocpdb> 16 atoms in block 71
Block first atom: 1064
Blocpdb> 18 atoms in block 72
Block first atom: 1080
Blocpdb> 18 atoms in block 73
Block first atom: 1098
Blocpdb> 15 atoms in block 74
Block first atom: 1116
Blocpdb> 13 atoms in block 75
Block first atom: 1131
Blocpdb> 15 atoms in block 76
Block first atom: 1144
Blocpdb> 17 atoms in block 77
Block first atom: 1159
Blocpdb> 17 atoms in block 78
Block first atom: 1176
Blocpdb> 19 atoms in block 79
Block first atom: 1193
Blocpdb> 16 atoms in block 80
Block first atom: 1212
Blocpdb> 15 atoms in block 81
Block first atom: 1228
Blocpdb> 11 atoms in block 82
Block first atom: 1243
Blocpdb> 14 atoms in block 83
Block first atom: 1254
Blocpdb> 14 atoms in block 84
Block first atom: 1268
Blocpdb> 16 atoms in block 85
Block first atom: 1282
Blocpdb> 21 atoms in block 86
Block first atom: 1298
Blocpdb> 16 atoms in block 87
Block first atom: 1319
Blocpdb> 17 atoms in block 88
Block first atom: 1335
Blocpdb> 18 atoms in block 89
Block first atom: 1352
Blocpdb> 13 atoms in block 90
Block first atom: 1370
Blocpdb> 15 atoms in block 91
Block first atom: 1383
Blocpdb> 13 atoms in block 92
Block first atom: 1398
Blocpdb> 17 atoms in block 93
Block first atom: 1411
Blocpdb> 15 atoms in block 94
Block first atom: 1428
Blocpdb> 12 atoms in block 95
Block first atom: 1443
Blocpdb> 15 atoms in block 96
Block first atom: 1455
Blocpdb> 21 atoms in block 97
Block first atom: 1470
Blocpdb> 18 atoms in block 98
Block first atom: 1491
Blocpdb> 12 atoms in block 99
Block first atom: 1509
Blocpdb> 18 atoms in block 100
Block first atom: 1521
Blocpdb> 13 atoms in block 101
Block first atom: 1539
Blocpdb> 13 atoms in block 102
Block first atom: 1552
Blocpdb> 15 atoms in block 103
Block first atom: 1565
Blocpdb> 15 atoms in block 104
Block first atom: 1580
Blocpdb> 13 atoms in block 105
Block first atom: 1595
Blocpdb> 19 atoms in block 106
Block first atom: 1608
Blocpdb> 22 atoms in block 107
Block first atom: 1627
Blocpdb> 15 atoms in block 108
Block first atom: 1649
Blocpdb> 14 atoms in block 109
Block first atom: 1664
Blocpdb> 18 atoms in block 110
Block first atom: 1678
Blocpdb> 22 atoms in block 111
Block first atom: 1696
Blocpdb> 22 atoms in block 112
Block first atom: 1718
Blocpdb> 8 atoms in block 113
Block first atom: 1740
Blocpdb> 14 atoms in block 114
Block first atom: 1748
Blocpdb> 16 atoms in block 115
Block first atom: 1762
Blocpdb> 21 atoms in block 116
Block first atom: 1778
Blocpdb> 12 atoms in block 117
Block first atom: 1799
Blocpdb> 19 atoms in block 118
Block first atom: 1811
Blocpdb> 12 atoms in block 119
Block first atom: 1830
Blocpdb> 11 atoms in block 120
Block first atom: 1842
Blocpdb> 15 atoms in block 121
Block first atom: 1853
Blocpdb> 16 atoms in block 122
Block first atom: 1868
Blocpdb> 18 atoms in block 123
Block first atom: 1884
Blocpdb> 15 atoms in block 124
Block first atom: 1902
Blocpdb> 8 atoms in block 125
Block first atom: 1917
Blocpdb> 13 atoms in block 126
Block first atom: 1925
Blocpdb> 10 atoms in block 127
Block first atom: 1938
Blocpdb> 14 atoms in block 128
Block first atom: 1948
Blocpdb> 13 atoms in block 129
Block first atom: 1962
Blocpdb> 24 atoms in block 130
Block first atom: 1975
Blocpdb> 13 atoms in block 131
Block first atom: 1999
Blocpdb> 15 atoms in block 132
Block first atom: 2012
Blocpdb> 16 atoms in block 133
Block first atom: 2027
Blocpdb> 16 atoms in block 134
Block first atom: 2043
Blocpdb> 15 atoms in block 135
Block first atom: 2059
Blocpdb> 17 atoms in block 136
Block first atom: 2074
Blocpdb> 23 atoms in block 137
Block first atom: 2091
Blocpdb> 12 atoms in block 138
Block first atom: 2114
Blocpdb> 11 atoms in block 139
Block first atom: 2126
Blocpdb> 22 atoms in block 140
Block first atom: 2137
Blocpdb> 15 atoms in block 141
Block first atom: 2159
Blocpdb> 16 atoms in block 142
Block first atom: 2174
Blocpdb> 14 atoms in block 143
Block first atom: 2190
Blocpdb> 15 atoms in block 144
Block first atom: 2204
Blocpdb> 17 atoms in block 145
Block first atom: 2219
Blocpdb> 15 atoms in block 146
Block first atom: 2236
Blocpdb> 17 atoms in block 147
Block first atom: 2251
Blocpdb> 21 atoms in block 148
Block first atom: 2268
Blocpdb> 13 atoms in block 149
Block first atom: 2289
Blocpdb> 12 atoms in block 150
Block first atom: 2302
Blocpdb> 21 atoms in block 151
Block first atom: 2314
Blocpdb> 13 atoms in block 152
Block first atom: 2335
Blocpdb> 17 atoms in block 153
Block first atom: 2348
Blocpdb> 14 atoms in block 154
Block first atom: 2365
Blocpdb> 12 atoms in block 155
Block first atom: 2379
Blocpdb> 16 atoms in block 156
Block first atom: 2391
Blocpdb> 16 atoms in block 157
Block first atom: 2407
Blocpdb> 16 atoms in block 158
Block first atom: 2423
Blocpdb> 16 atoms in block 159
Block first atom: 2439
Blocpdb> 22 atoms in block 160
Block first atom: 2455
Blocpdb> 10 atoms in block 161
Block first atom: 2477
Blocpdb> 18 atoms in block 162
Block first atom: 2487
Blocpdb> 10 atoms in block 163
Block first atom: 2505
Blocpdb> 17 atoms in block 164
Block first atom: 2515
Blocpdb> 46 atoms in block 165
Block first atom: 2532
Blocpdb> 15 atoms in block 166
Block first atom: 2578
Blocpdb> 14 atoms in block 167
Block first atom: 2593
Blocpdb> 14 atoms in block 168
Block first atom: 2607
Blocpdb> 13 atoms in block 169
Block first atom: 2621
Blocpdb> 25 atoms in block 170
Block first atom: 2634
Blocpdb> 16 atoms in block 171
Block first atom: 2659
Blocpdb> 16 atoms in block 172
Block first atom: 2675
Blocpdb> 15 atoms in block 173
Block first atom: 2691
Blocpdb> 16 atoms in block 174
Block first atom: 2706
Blocpdb> 18 atoms in block 175
Block first atom: 2722
Blocpdb> 16 atoms in block 176
Block first atom: 2740
Blocpdb> 22 atoms in block 177
Block first atom: 2756
Blocpdb> 13 atoms in block 178
Block first atom: 2778
Blocpdb> 10 atoms in block 179
Block first atom: 2791
Blocpdb> 14 atoms in block 180
Block first atom: 2801
Blocpdb> 16 atoms in block 181
Block first atom: 2815
Blocpdb> 10 atoms in block 182
Block first atom: 2831
Blocpdb> 15 atoms in block 183
Block first atom: 2841
Blocpdb> 14 atoms in block 184
Block first atom: 2856
Blocpdb> 14 atoms in block 185
Block first atom: 2870
Blocpdb> 18 atoms in block 186
Block first atom: 2884
Blocpdb> 20 atoms in block 187
Block first atom: 2902
Blocpdb> 15 atoms in block 188
Block first atom: 2922
Blocpdb> 9 atoms in block 189
Block first atom: 2937
Blocpdb> 16 atoms in block 190
Block first atom: 2946
Blocpdb> 18 atoms in block 191
Block first atom: 2962
Blocpdb> 16 atoms in block 192
Block first atom: 2979
Blocpdb> 192 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 8 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> 1224413 matrix lines read.
Prepmat> Matrix order = 8985
Prepmat> Matrix trace = 2681180.0000
Prepmat> Last element read: 8985 8985 217.9515
Prepmat> 18529 lines saved.
Prepmat> 16244 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: 2995
RTB> Total mass = 2995.0000
RTB> Number of atoms found in matrix: 2995
RTB> Number of blocks = 192
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 295951.9789
RTB> 79344 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 = 1152
Diagstd> Nb of non-zero elements: 79344
Diagstd> Projected matrix trace = 295951.9789
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1152 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 295951.9789
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 4.9915816 5.5173505 8.5236545 10.1323746
10.4640563 11.9826631 12.8303887 13.5146565 14.8403706
15.2499658 16.4900886 17.3480349 18.0161039 19.1606179
19.8149565 20.7319085 21.4816434 22.8640493 23.8233996
23.9801139 26.1067080 26.8029963 27.6520787 28.1576066
29.4507125 30.0485941 30.1354056 31.3575669 32.1220957
33.2482102 33.8716890 34.3453449 35.0161455 35.4421553
36.0185693 36.9082602 37.9730752 38.2764117 38.6628448
39.5640473 40.3203202 41.1494913 41.2784051 41.7412208
42.8473617 43.2960379 43.7839613 45.4330905 45.7846656
46.1962332 47.9947798 48.4625544 49.2469719 50.1407298
51.2410941 52.1911763 52.3545765 52.8524517 54.0829748
54.3073710 54.9134852 55.5285776 56.1189858 56.7084853
57.3584441 58.2359450 59.3682090 60.1535375 61.0737720
61.1806642 61.4045661 62.6748842 62.8317252 63.3834252
64.3165563 65.0878821 65.5754279 65.9663683 66.8749603
67.1133371 68.1675712 68.5170447 69.2971620 69.5731161
70.1361457 71.1425588 71.8761530 72.4577865 73.0185931
73.5083412 73.9488930 74.4995650 75.2035907 75.7066621
76.2957083 76.8469939 77.4916152 77.7768765 78.5958653
78.8227671
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034302 0.0034319 0.0034331 0.0034333 0.0034335
0.0034341 242.6131683 255.0706964 317.0357225 345.6614107
351.2734404 375.8996792 388.9691767 399.2066671 418.3286933
424.0623488 440.9676952 452.2935802 460.9201758 475.3352644
483.3835221 494.4415076 503.3024351 519.2444394 530.0259683
531.7664098 554.8445653 562.1949677 571.0303248 576.2263964
589.3091490 595.2609033 596.1201479 608.0880365 615.4562920
626.1514867 631.9950940 636.3986079 642.5833219 646.4803704
651.7161891 659.7160758 669.1649192 671.8323142 675.2151577
683.0392117 689.5365100 696.5904495 697.6807408 701.5810561
710.8162101 714.5281742 718.5430714 731.9500087 734.7765766
738.0717157 752.3021139 755.9593296 762.0527702 768.9367290
777.3282969 784.5015804 785.7286804 789.4558538 798.5931230
800.2481334 804.7014505 809.1956787 813.4861949 817.7476484
822.4205645 828.6876066 836.7047878 842.2206131 848.6383469
849.3806715 850.9334844 859.6903471 860.7653430 864.5361000
870.8767006 876.0831962 879.3582589 881.9755944 888.0287962
889.6100841 896.5699743 898.8652509 903.9678914 905.7659865
909.4236170 915.9252272 920.6354475 924.3529078 927.9231520
931.0298205 933.8155868 937.2860401 941.7043333 944.8488301
948.5174715 951.9381279 955.9223967 957.6802459 962.7092179
964.0978598
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2995
Rtb_to_modes> Number of blocs = 192
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: 9.9780E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9883E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9950E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9961E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9974E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.992
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.517
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.524
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 10.13
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 10.46
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 11.98
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 12.83
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 13.51
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 14.84
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 15.25
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 16.49
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 17.35
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 18.02
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 19.16
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 19.81
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 20.73
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 21.48
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 22.86
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 23.82
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 23.98
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 26.11
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 26.80
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 27.65
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 28.16
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 29.45
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 30.05
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 30.14
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 31.36
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 32.12
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 33.25
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 33.87
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 34.35
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 35.02
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 35.44
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 36.02
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 36.91
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 37.97
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 38.28
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 38.66
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 39.56
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 40.32
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 41.15
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 41.28
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 41.74
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 42.85
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 43.30
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 43.78
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 45.43
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 45.78
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 46.20
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 47.99
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 48.46
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 49.25
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 50.14
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 51.24
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 52.19
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 52.35
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 52.85
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 54.08
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 54.31
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 54.91
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 55.53
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 56.12
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 56.71
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 57.36
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 58.24
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 59.37
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 60.15
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 61.07
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 61.18
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 61.40
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 62.67
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 62.83
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 63.38
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 64.32
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 65.09
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 65.58
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 65.97
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 66.87
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 67.11
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 68.17
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 68.52
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 69.30
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 69.57
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 70.14
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 71.14
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 71.88
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 72.46
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 73.02
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 73.51
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 73.95
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 74.50
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 75.20
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 75.71
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 76.30
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 76.85
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 77.49
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 77.78
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 78.60
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 78.82
Rtb_to_modes> 106 vectors, with 1152 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 1.00001
1.00000 1.00001 0.99999 1.00002 1.00001
0.99998 0.99995 0.99999 1.00000 1.00002
1.00003 1.00001 0.99999 1.00001 1.00001
1.00000 0.99999 0.99996 1.00000 0.99999
1.00002 0.99997 1.00002 1.00000 0.99997
1.00002 0.99999 1.00001 1.00003 1.00000
0.99999 1.00000 0.99999 1.00002 1.00000
1.00001 1.00001 1.00001 1.00000 1.00000
1.00002 0.99999 1.00000 1.00000 1.00001
1.00000 1.00005 0.99998 0.99999 1.00001
1.00000 1.00000 1.00001 0.99999 0.99998
1.00001 0.99999 1.00002 0.99998 0.99998
1.00001 0.99999 1.00002 1.00001 1.00001
0.99997 1.00002 1.00001 0.99999 0.99999
0.99999 1.00001 1.00003 1.00000 0.99999
1.00001 0.99999 1.00000 1.00000 1.00001
0.99999 1.00001 0.99998 1.00001 0.99999
0.99996 1.00000 0.99998 1.00002 1.00002
0.99998 0.99999 1.00001 0.99999 1.00002
1.00000 0.99999 1.00001 1.00003 1.00001
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 53910 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 0.99999 1.00000 1.00001
1.00000 1.00001 0.99999 1.00002 1.00001
0.99998 0.99995 0.99999 1.00000 1.00002
1.00003 1.00001 0.99999 1.00001 1.00001
1.00000 0.99999 0.99996 1.00000 0.99999
1.00002 0.99997 1.00002 1.00000 0.99997
1.00002 0.99999 1.00001 1.00003 1.00000
0.99999 1.00000 0.99999 1.00002 1.00000
1.00001 1.00001 1.00001 1.00000 1.00000
1.00002 0.99999 1.00000 1.00000 1.00001
1.00000 1.00005 0.99998 0.99999 1.00001
1.00000 1.00000 1.00001 0.99999 0.99998
1.00001 0.99999 1.00002 0.99998 0.99998
1.00001 0.99999 1.00002 1.00001 1.00001
0.99997 1.00002 1.00001 0.99999 0.99999
0.99999 1.00001 1.00003 1.00000 0.99999
1.00001 0.99999 1.00000 1.00000 1.00001
0.99999 1.00001 0.99998 1.00001 0.99999
0.99996 1.00000 0.99998 1.00002 1.00002
0.99998 0.99999 1.00001 0.99999 1.00002
1.00000 0.99999 1.00001 1.00003 1.00001
0.99998
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> 2404132040384056527.eigenfacs
Openam> file on opening on unit 10:
2404132040384056527.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404132040384056527.atom
Openam> file on opening on unit 11:
2404132040384056527.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 = 382
First residue number = 82
Last residue number = 468
Number of atoms found = 2995
Mean number per residue = 7.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9780E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9883E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9950E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9961E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9974E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.992
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.517
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.524
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 10.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 10.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 12.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 13.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 14.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 15.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 16.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 17.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 18.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 19.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 19.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 20.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 21.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 22.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 23.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 23.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 26.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 26.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 27.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 28.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 29.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 30.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 30.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 31.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 32.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 33.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 33.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 34.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 35.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 35.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 36.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 36.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 37.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 38.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 38.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 39.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 40.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 41.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 41.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 41.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 42.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 43.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 43.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 45.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 45.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 46.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 47.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 48.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 49.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 50.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 51.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 52.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 52.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 52.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 54.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 54.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 54.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 55.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 56.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 56.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 57.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 58.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 59.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 60.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 61.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 61.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 61.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 62.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 62.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 63.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 64.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 65.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 65.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 65.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 66.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 67.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 68.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 68.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 69.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 69.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 70.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 71.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 71.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 72.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 73.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 73.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 73.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 74.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 75.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 75.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 76.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 76.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 77.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 77.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 78.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 78.82
Bfactors> 106 vectors, 8985 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 : 4.992000
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= 0.474 for 388 C-alpha atoms.
Bfactors> = 0.014 +/- 0.01
Bfactors> = 18.743 +/- 6.04
Bfactors> Shiftng-fct= 18.729
Bfactors> Scaling-fct= 480.524
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404132040384056527 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=0
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=100
2404132040384056527.eigenfacs
2404132040384056527.atom
making animated gifs
11 models are in 2404132040384056527.7.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 2404132040384056527.7.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 2404132040384056527.7.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 2404132040384056527 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=0
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=100
2404132040384056527.eigenfacs
2404132040384056527.atom
making animated gifs
11 models are in 2404132040384056527.8.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 2404132040384056527.8.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 2404132040384056527.8.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 2404132040384056527 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=0
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=100
2404132040384056527.eigenfacs
2404132040384056527.atom
making animated gifs
11 models are in 2404132040384056527.9.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 2404132040384056527.9.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 2404132040384056527.9.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 2404132040384056527 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=0
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=100
2404132040384056527.eigenfacs
2404132040384056527.atom
making animated gifs
11 models are in 2404132040384056527.10.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 2404132040384056527.10.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 2404132040384056527.10.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 2404132040384056527 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=-20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=0
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=20
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=40
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=60
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=80
2404132040384056527.eigenfacs
2404132040384056527.atom
calculating perturbed structure for DQ=100
2404132040384056527.eigenfacs
2404132040384056527.atom
making animated gifs
11 models are in 2404132040384056527.11.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 2404132040384056527.11.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 2404132040384056527.11.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
2404132040384056527.10.pdb
2404132040384056527.11.pdb
2404132040384056527.7.pdb
2404132040384056527.8.pdb
2404132040384056527.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.031s
user 0m24.951s
sys 0m0.080s
../../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: 2404132040384056527.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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