*** 01-JUN-22 ***
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 = 2404020759352008501.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 2404020759352008501.atom to be opened.
Openam> File opened: 2404020759352008501.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 = 516
First residue number = 25
Last residue number = 540
Number of atoms found = 4006
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= -2.913326 +/- 13.693914 From: -34.222000 To: 35.159000
= 2.224048 +/- 11.413519 From: -22.575000 To: 31.400000
= -2.363571 +/- 13.336290 From: -38.381000 To: 30.717000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 2.1555 % Filled.
Pdbmat> 1556756 non-zero elements.
Pdbmat> 170330 atom-atom interactions.
Pdbmat> Number per atom= 85.04 +/- 23.78
Maximum number = 130
Minimum number = 13
Pdbmat> Matrix trace = 3.406600E+06
Pdbmat> Larger element = 515.931
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
516 non-zero elements, NRBL set to 3
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2404020759352008501.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 3
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2404020759352008501.atom to be opened.
Openam> file on opening on unit 11:
2404020759352008501.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4006 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 3 residue(s) per block.
Blocpdb> 516 residues.
Blocpdb> 22 atoms in block 1
Block first atom: 1
Blocpdb> 23 atoms in block 2
Block first atom: 23
Blocpdb> 20 atoms in block 3
Block first atom: 46
Blocpdb> 21 atoms in block 4
Block first atom: 66
Blocpdb> 26 atoms in block 5
Block first atom: 87
Blocpdb> 21 atoms in block 6
Block first atom: 113
Blocpdb> 29 atoms in block 7
Block first atom: 134
Blocpdb> 19 atoms in block 8
Block first atom: 163
Blocpdb> 26 atoms in block 9
Block first atom: 182
Blocpdb> 18 atoms in block 10
Block first atom: 208
Blocpdb> 25 atoms in block 11
Block first atom: 226
Blocpdb> 22 atoms in block 12
Block first atom: 251
Blocpdb> 18 atoms in block 13
Block first atom: 273
Blocpdb> 27 atoms in block 14
Block first atom: 291
Blocpdb> 23 atoms in block 15
Block first atom: 318
Blocpdb> 21 atoms in block 16
Block first atom: 341
Blocpdb> 27 atoms in block 17
Block first atom: 362
Blocpdb> 27 atoms in block 18
Block first atom: 389
Blocpdb> 20 atoms in block 19
Block first atom: 416
Blocpdb> 25 atoms in block 20
Block first atom: 436
Blocpdb> 21 atoms in block 21
Block first atom: 461
Blocpdb> 23 atoms in block 22
Block first atom: 482
Blocpdb> 23 atoms in block 23
Block first atom: 505
Blocpdb> 22 atoms in block 24
Block first atom: 528
Blocpdb> 22 atoms in block 25
Block first atom: 550
Blocpdb> 25 atoms in block 26
Block first atom: 572
Blocpdb> 25 atoms in block 27
Block first atom: 597
Blocpdb> 25 atoms in block 28
Block first atom: 622
Blocpdb> 24 atoms in block 29
Block first atom: 647
Blocpdb> 23 atoms in block 30
Block first atom: 671
Blocpdb> 22 atoms in block 31
Block first atom: 694
Blocpdb> 28 atoms in block 32
Block first atom: 716
Blocpdb> 26 atoms in block 33
Block first atom: 744
Blocpdb> 20 atoms in block 34
Block first atom: 770
Blocpdb> 24 atoms in block 35
Block first atom: 790
Blocpdb> 21 atoms in block 36
Block first atom: 814
Blocpdb> 22 atoms in block 37
Block first atom: 835
Blocpdb> 29 atoms in block 38
Block first atom: 857
Blocpdb> 22 atoms in block 39
Block first atom: 886
Blocpdb> 16 atoms in block 40
Block first atom: 908
Blocpdb> 19 atoms in block 41
Block first atom: 924
Blocpdb> 15 atoms in block 42
Block first atom: 943
Blocpdb> 27 atoms in block 43
Block first atom: 958
Blocpdb> 17 atoms in block 44
Block first atom: 985
Blocpdb> 19 atoms in block 45
Block first atom: 1002
Blocpdb> 27 atoms in block 46
Block first atom: 1021
Blocpdb> 21 atoms in block 47
Block first atom: 1048
Blocpdb> 22 atoms in block 48
Block first atom: 1069
Blocpdb> 32 atoms in block 49
Block first atom: 1091
Blocpdb> 20 atoms in block 50
Block first atom: 1123
Blocpdb> 26 atoms in block 51
Block first atom: 1143
Blocpdb> 24 atoms in block 52
Block first atom: 1169
Blocpdb> 21 atoms in block 53
Block first atom: 1193
Blocpdb> 23 atoms in block 54
Block first atom: 1214
Blocpdb> 26 atoms in block 55
Block first atom: 1237
Blocpdb> 23 atoms in block 56
Block first atom: 1263
Blocpdb> 25 atoms in block 57
Block first atom: 1286
Blocpdb> 18 atoms in block 58
Block first atom: 1311
Blocpdb> 32 atoms in block 59
Block first atom: 1329
Blocpdb> 25 atoms in block 60
Block first atom: 1361
Blocpdb> 21 atoms in block 61
Block first atom: 1386
Blocpdb> 19 atoms in block 62
Block first atom: 1407
Blocpdb> 23 atoms in block 63
Block first atom: 1426
Blocpdb> 20 atoms in block 64
Block first atom: 1449
Blocpdb> 23 atoms in block 65
Block first atom: 1469
Blocpdb> 21 atoms in block 66
Block first atom: 1492
Blocpdb> 16 atoms in block 67
Block first atom: 1513
Blocpdb> 19 atoms in block 68
Block first atom: 1529
Blocpdb> 22 atoms in block 69
Block first atom: 1548
Blocpdb> 21 atoms in block 70
Block first atom: 1570
Blocpdb> 21 atoms in block 71
Block first atom: 1591
Blocpdb> 27 atoms in block 72
Block first atom: 1612
Blocpdb> 26 atoms in block 73
Block first atom: 1639
Blocpdb> 23 atoms in block 74
Block first atom: 1665
Blocpdb> 17 atoms in block 75
Block first atom: 1688
Blocpdb> 23 atoms in block 76
Block first atom: 1705
Blocpdb> 22 atoms in block 77
Block first atom: 1728
Blocpdb> 22 atoms in block 78
Block first atom: 1750
Blocpdb> 25 atoms in block 79
Block first atom: 1772
Blocpdb> 20 atoms in block 80
Block first atom: 1797
Blocpdb> 25 atoms in block 81
Block first atom: 1817
Blocpdb> 20 atoms in block 82
Block first atom: 1842
Blocpdb> 21 atoms in block 83
Block first atom: 1862
Blocpdb> 23 atoms in block 84
Block first atom: 1883
Blocpdb> 17 atoms in block 85
Block first atom: 1906
Blocpdb> 20 atoms in block 86
Block first atom: 1923
Blocpdb> 23 atoms in block 87
Block first atom: 1943
Blocpdb> 29 atoms in block 88
Block first atom: 1966
Blocpdb> 22 atoms in block 89
Block first atom: 1995
Blocpdb> 25 atoms in block 90
Block first atom: 2017
Blocpdb> 23 atoms in block 91
Block first atom: 2042
Blocpdb> 21 atoms in block 92
Block first atom: 2065
Blocpdb> 28 atoms in block 93
Block first atom: 2086
Blocpdb> 22 atoms in block 94
Block first atom: 2114
Blocpdb> 21 atoms in block 95
Block first atom: 2136
Blocpdb> 24 atoms in block 96
Block first atom: 2157
Blocpdb> 18 atoms in block 97
Block first atom: 2181
Blocpdb> 24 atoms in block 98
Block first atom: 2199
Blocpdb> 21 atoms in block 99
Block first atom: 2223
Blocpdb> 25 atoms in block 100
Block first atom: 2244
Blocpdb> 23 atoms in block 101
Block first atom: 2269
Blocpdb> 25 atoms in block 102
Block first atom: 2292
Blocpdb> 21 atoms in block 103
Block first atom: 2317
Blocpdb> 27 atoms in block 104
Block first atom: 2338
Blocpdb> 23 atoms in block 105
Block first atom: 2365
Blocpdb> 27 atoms in block 106
Block first atom: 2388
Blocpdb> 29 atoms in block 107
Block first atom: 2415
Blocpdb> 23 atoms in block 108
Block first atom: 2444
Blocpdb> 24 atoms in block 109
Block first atom: 2467
Blocpdb> 25 atoms in block 110
Block first atom: 2491
Blocpdb> 24 atoms in block 111
Block first atom: 2516
Blocpdb> 21 atoms in block 112
Block first atom: 2540
Blocpdb> 26 atoms in block 113
Block first atom: 2561
Blocpdb> 18 atoms in block 114
Block first atom: 2587
Blocpdb> 24 atoms in block 115
Block first atom: 2605
Blocpdb> 33 atoms in block 116
Block first atom: 2629
Blocpdb> 25 atoms in block 117
Block first atom: 2662
Blocpdb> 24 atoms in block 118
Block first atom: 2687
Blocpdb> 21 atoms in block 119
Block first atom: 2711
Blocpdb> 23 atoms in block 120
Block first atom: 2732
Blocpdb> 20 atoms in block 121
Block first atom: 2755
Blocpdb> 30 atoms in block 122
Block first atom: 2775
Blocpdb> 23 atoms in block 123
Block first atom: 2805
Blocpdb> 23 atoms in block 124
Block first atom: 2828
Blocpdb> 21 atoms in block 125
Block first atom: 2851
Blocpdb> 24 atoms in block 126
Block first atom: 2872
Blocpdb> 24 atoms in block 127
Block first atom: 2896
Blocpdb> 27 atoms in block 128
Block first atom: 2920
Blocpdb> 20 atoms in block 129
Block first atom: 2947
Blocpdb> 26 atoms in block 130
Block first atom: 2967
Blocpdb> 20 atoms in block 131
Block first atom: 2993
Blocpdb> 23 atoms in block 132
Block first atom: 3013
Blocpdb> 23 atoms in block 133
Block first atom: 3036
Blocpdb> 27 atoms in block 134
Block first atom: 3059
Blocpdb> 16 atoms in block 135
Block first atom: 3086
Blocpdb> 25 atoms in block 136
Block first atom: 3102
Blocpdb> 29 atoms in block 137
Block first atom: 3127
Blocpdb> 34 atoms in block 138
Block first atom: 3156
Blocpdb> 24 atoms in block 139
Block first atom: 3190
Blocpdb> 24 atoms in block 140
Block first atom: 3214
Blocpdb> 28 atoms in block 141
Block first atom: 3238
Blocpdb> 23 atoms in block 142
Block first atom: 3266
Blocpdb> 20 atoms in block 143
Block first atom: 3289
Blocpdb> 22 atoms in block 144
Block first atom: 3309
Blocpdb> 25 atoms in block 145
Block first atom: 3331
Blocpdb> 29 atoms in block 146
Block first atom: 3356
Blocpdb> 20 atoms in block 147
Block first atom: 3385
Blocpdb> 23 atoms in block 148
Block first atom: 3405
Blocpdb> 22 atoms in block 149
Block first atom: 3428
Blocpdb> 20 atoms in block 150
Block first atom: 3450
Blocpdb> 25 atoms in block 151
Block first atom: 3470
Blocpdb> 22 atoms in block 152
Block first atom: 3495
Blocpdb> 24 atoms in block 153
Block first atom: 3517
Blocpdb> 28 atoms in block 154
Block first atom: 3541
Blocpdb> 27 atoms in block 155
Block first atom: 3569
Blocpdb> 27 atoms in block 156
Block first atom: 3596
Blocpdb> 20 atoms in block 157
Block first atom: 3623
Blocpdb> 19 atoms in block 158
Block first atom: 3643
Blocpdb> 21 atoms in block 159
Block first atom: 3662
Blocpdb> 31 atoms in block 160
Block first atom: 3683
Blocpdb> 28 atoms in block 161
Block first atom: 3714
Blocpdb> 26 atoms in block 162
Block first atom: 3742
Blocpdb> 25 atoms in block 163
Block first atom: 3768
Blocpdb> 25 atoms in block 164
Block first atom: 3793
Blocpdb> 16 atoms in block 165
Block first atom: 3818
Blocpdb> 25 atoms in block 166
Block first atom: 3834
Blocpdb> 25 atoms in block 167
Block first atom: 3859
Blocpdb> 22 atoms in block 168
Block first atom: 3884
Blocpdb> 25 atoms in block 169
Block first atom: 3906
Blocpdb> 30 atoms in block 170
Block first atom: 3931
Blocpdb> 24 atoms in block 171
Block first atom: 3961
Blocpdb> 22 atoms in block 172
Block first atom: 3984
Blocpdb> 172 blocks.
Blocpdb> At most, 34 atoms in each of them.
Blocpdb> At least, 15 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> 1556928 matrix lines read.
Prepmat> Matrix order = 12018
Prepmat> Matrix trace = 3406600.0000
Prepmat> Last element read: 12018 12018 109.0723
Prepmat> 14879 lines saved.
Prepmat> 13014 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: 4006
RTB> Total mass = 4006.0000
RTB> Number of atoms found in matrix: 4006
RTB> Number of blocks = 172
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 233367.0662
RTB> 64524 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 = 1032
Diagstd> Nb of non-zero elements: 64524
Diagstd> Projected matrix trace = 233367.0662
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1032 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 233367.0662
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 3.4288761 4.1890197 4.7716847 5.5430077
6.1017134 7.6772253 8.0553471 9.3319390 10.0105892
10.6401468 12.1402453 12.7404642 13.1221206 13.3738903
14.5143395 14.7882923 15.5102017 16.1816118 16.7763365
16.8408633 17.3704202 18.0237251 18.3884367 18.9820355
19.4594851 20.0763931 21.3399951 21.6668266 22.2189336
22.5190475 23.3946542 23.7747126 24.9148461 25.3456805
26.2622010 27.2959833 27.4730095 28.3193189 28.6112789
28.9209543 29.0775051 30.3900224 31.1775546 31.5546695
31.9504605 32.2031553 32.9786233 33.7430072 34.2377009
34.6312402 35.1893154 35.6583389 36.3276755 36.9055699
37.4986988 38.0723018 38.7795622 39.1104961 39.9369228
40.1020184 40.3804631 41.2879284 41.8429105 42.2285462
42.5982063 43.2981518 43.5827525 43.9662434 44.4144378
45.3590444 45.4644381 45.8517591 46.2850476 47.2141608
48.4027074 48.9943233 49.3638527 49.6636582 50.0808895
50.9195535 51.2293985 52.1387496 52.8945690 53.8118508
54.1745406 54.5670547 55.0329055 55.4280574 56.2879302
56.3992370 57.2038918 57.6617799 58.0788832 58.6766169
59.2823480 59.7639934 60.0262545 60.5599272 61.0432333
61.5011835
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034312 0.0034315 0.0034315 0.0034328 0.0034337
0.0034350 201.0810657 222.2549714 237.2089919 255.6630829
268.2385429 300.8828420 308.2033893 331.7273095 343.5778048
354.2167474 378.3633053 387.6036925 393.3664281 397.1221939
413.7079993 417.5940410 427.6652900 436.8236761 444.7785601
445.6331150 452.5852981 461.0176555 465.6586609 473.1149497
479.0280585 486.5619305 501.6403224 505.4671475 511.8667104
515.3120388 525.2349242 529.4840936 542.0313236 546.6977145
556.4944547 567.3416298 569.1783838 577.8786936 580.8498958
583.9848620 585.5633012 598.6331885 606.3401187 609.9961560
613.8098329 616.2323501 623.6078039 630.7934460 635.4005361
639.0418531 644.1702875 648.4490144 654.5066829 659.6920318
664.9720315 670.0386386 676.2335772 679.1128415 686.2503515
687.6673363 690.0505841 697.7612172 702.4351297 705.6646228
708.7465149 714.5456170 716.8901407 720.0372430 723.6979873
731.3533055 732.2024776 735.3147561 738.7808634 746.1590620
755.4924136 760.0955011 762.9565469 765.2699027 768.4777494
774.8855706 777.2395801 784.1074608 789.7703432 796.5888903
799.2688708 802.1591405 805.5759671 808.4629262 814.7097613
815.5148896 821.3118117 824.5923517 827.5693708 831.8170410
836.0995283 839.4891452 841.3290848 845.0607922 848.4261479
851.6026750
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4006
Rtb_to_modes> Number of blocs = 172
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9839E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9856E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9856E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9933E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9984E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0006E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 3.429
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.189
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 4.772
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 5.543
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 6.102
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 7.677
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 8.055
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 9.332
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 10.01
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 10.64
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 12.14
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 12.74
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 13.12
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 13.37
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 14.51
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.79
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 15.51
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 16.18
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 16.78
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 16.84
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 17.37
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 18.02
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 18.39
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 18.98
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 19.46
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 20.08
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 21.34
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 21.67
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 22.22
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 22.52
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 23.39
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 23.77
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 24.91
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 25.35
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 26.26
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 27.30
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 27.47
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 28.32
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 28.61
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 28.92
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 29.08
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 30.39
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 31.18
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 31.55
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 31.95
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 32.20
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 32.98
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 33.74
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 34.24
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 34.63
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 35.19
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 35.66
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 36.33
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 36.91
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 37.50
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 38.07
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 38.78
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 39.11
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 39.94
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 40.10
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 40.38
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 41.29
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 41.84
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 42.23
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 42.60
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 43.30
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 43.58
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 43.97
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 44.41
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 45.36
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 45.46
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 45.85
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 46.29
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 47.21
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 48.40
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 48.99
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 49.36
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 49.66
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 50.08
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 50.92
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 51.23
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 52.14
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 52.89
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 53.81
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 54.17
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 54.57
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 55.03
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 55.43
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 56.29
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 56.40
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 57.20
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 57.66
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 58.08
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 58.68
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 59.28
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 59.76
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 60.03
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 60.56
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 61.04
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 61.50
Rtb_to_modes> 106 vectors, with 1032 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00003 0.99998 1.00000 1.00000 1.00000
0.99999 0.99998 1.00000 1.00001 0.99999
0.99999 0.99997 1.00000 1.00001 1.00001
0.99998 0.99999 1.00001 1.00002 0.99997
1.00000 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00004 1.00001 1.00002
1.00001 0.99998 1.00000 0.99998 1.00002
1.00001 1.00001 1.00000 1.00002 1.00002
1.00001 0.99998 0.99999 0.99998 1.00002
1.00001 0.99998 1.00000 1.00002 0.99999
1.00000 1.00002 1.00001 1.00000 1.00000
1.00001 0.99998 1.00000 1.00001 1.00002
1.00000 1.00000 0.99999 0.99999 1.00000
1.00002 1.00000 1.00000 1.00000 1.00000
1.00001 1.00001 1.00001 1.00002 0.99999
0.99998 0.99999 1.00002 0.99999 1.00000
1.00002 1.00001 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 0.99999 1.00000
1.00002 1.00000 0.99999 1.00001 1.00000
1.00001 1.00000 0.99998 1.00001 0.99999
0.99998 1.00001 0.99998 1.00000 1.00000
0.99997
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 72108 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00003 0.99998 1.00000 1.00000 1.00000
0.99999 0.99998 1.00000 1.00001 0.99999
0.99999 0.99997 1.00000 1.00001 1.00001
0.99998 0.99999 1.00001 1.00002 0.99997
1.00000 1.00000 1.00000 1.00000 1.00001
1.00000 0.99999 1.00004 1.00001 1.00002
1.00001 0.99998 1.00000 0.99998 1.00002
1.00001 1.00001 1.00000 1.00002 1.00002
1.00001 0.99998 0.99999 0.99998 1.00002
1.00001 0.99998 1.00000 1.00002 0.99999
1.00000 1.00002 1.00001 1.00000 1.00000
1.00001 0.99998 1.00000 1.00001 1.00002
1.00000 1.00000 0.99999 0.99999 1.00000
1.00002 1.00000 1.00000 1.00000 1.00000
1.00001 1.00001 1.00001 1.00002 0.99999
0.99998 0.99999 1.00002 0.99999 1.00000
1.00002 1.00001 1.00000 1.00000 1.00000
1.00000 0.99999 1.00000 0.99999 1.00000
1.00002 1.00000 0.99999 1.00001 1.00000
1.00001 1.00000 0.99998 1.00001 0.99999
0.99998 1.00001 0.99998 1.00000 1.00000
0.99997
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> 2404020759352008501.eigenfacs
Openam> file on opening on unit 10:
2404020759352008501.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404020759352008501.atom
Openam> file on opening on unit 11:
2404020759352008501.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 = 516
First residue number = 25
Last residue number = 540
Number of atoms found = 4006
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: 9.9839E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9856E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9856E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9933E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9984E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0006E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 3.429
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.189
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 4.772
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 5.543
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 6.102
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 7.677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 8.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 9.332
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 10.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 10.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 12.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 12.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 13.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 13.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 14.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 15.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 16.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 16.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 16.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 17.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 18.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 18.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 18.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 19.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 20.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 21.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 21.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 22.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 22.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 23.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 23.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 24.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 25.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 26.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 27.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 27.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 28.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 28.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 28.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 29.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 30.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 31.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 31.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 31.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 32.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 32.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 33.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 34.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 34.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 35.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 35.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 36.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 36.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 37.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 38.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 38.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 39.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 39.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 40.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 40.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 41.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 41.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 42.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 42.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 43.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 43.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 43.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 44.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 45.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 45.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 45.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 46.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 47.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 48.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 48.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 49.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 49.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 50.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 50.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 51.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 52.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 52.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 53.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 54.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 54.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 55.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 55.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 56.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 56.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 57.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 57.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 58.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 58.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 59.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 59.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 60.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 60.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 61.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 61.50
Bfactors> 106 vectors, 12018 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 3.429000
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= -0.395 for 516 C-alpha atoms.
Bfactors> = 0.016 +/- 0.02
Bfactors> = 94.332 +/- 6.68
Bfactors> Shiftng-fct= 94.316
Bfactors> Scaling-fct= 392.901
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404020759352008501 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=0
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=100
2404020759352008501.eigenfacs
2404020759352008501.atom
making animated gifs
11 models are in 2404020759352008501.7.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 2404020759352008501.7.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 2404020759352008501.7.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 2404020759352008501 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=0
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=100
2404020759352008501.eigenfacs
2404020759352008501.atom
making animated gifs
11 models are in 2404020759352008501.8.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 2404020759352008501.8.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 2404020759352008501.8.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 2404020759352008501 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=0
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=100
2404020759352008501.eigenfacs
2404020759352008501.atom
making animated gifs
11 models are in 2404020759352008501.9.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 2404020759352008501.9.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 2404020759352008501.9.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 2404020759352008501 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=0
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=100
2404020759352008501.eigenfacs
2404020759352008501.atom
making animated gifs
11 models are in 2404020759352008501.10.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 2404020759352008501.10.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 2404020759352008501.10.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 2404020759352008501 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=-20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=0
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=20
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=40
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=60
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=80
2404020759352008501.eigenfacs
2404020759352008501.atom
calculating perturbed structure for DQ=100
2404020759352008501.eigenfacs
2404020759352008501.atom
making animated gifs
11 models are in 2404020759352008501.11.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 2404020759352008501.11.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 2404020759352008501.11.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
2404020759352008501.10.pdb
2404020759352008501.11.pdb
2404020759352008501.7.pdb
2404020759352008501.8.pdb
2404020759352008501.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m20.487s
user 0m20.415s
sys 0m0.072s
../../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: 2404020759352008501.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.
|
