*** ***
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 = 240507033559759841.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 240507033559759841.atom to be opened.
Openam> File opened: 240507033559759841.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 = 1200
First residue number = 1
Last residue number = 60
Number of atoms found = 18860
Mean number per residue = 15.7
Pdbmat> Coordinate statistics:
= -1.073934 +/- 4.354328 From: -10.840000 To: 11.694000
= 2.717766 +/- 7.750371 From: -14.409000 To: 21.099000
= 1.105443 +/- 7.739850 From: -17.371000 To: 20.955000
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 -38.9534 % Filled.
Pdbmat> 213000214 non-zero elements.
Pdbmat> 23658539 atom-atom interactions.
Pdbmat> Number per atom= 2508.86 +/- 831.45
Maximum number = 4309
Minimum number = 477
Pdbmat> Matrix trace = 4.731708E+08
Pdbmat> Larger element = 16384.9
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1200 non-zero elements, NRBL set to 7
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 = 240507033559759841.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 240507033559759841.atom to be opened.
Openam> file on opening on unit 11:
240507033559759841.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 18860 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1200 residues.
Blocpdb> 130 atoms in block 1
Block first atom: 1
Blocpdb> 110 atoms in block 2
Block first atom: 131
Blocpdb> 96 atoms in block 3
Block first atom: 241
Blocpdb> 123 atoms in block 4
Block first atom: 337
Blocpdb> 109 atoms in block 5
Block first atom: 460
Blocpdb> 98 atoms in block 6
Block first atom: 569
Blocpdb> 112 atoms in block 7
Block first atom: 667
Blocpdb> 107 atoms in block 8
Block first atom: 779
Blocpdb> 58 atoms in block 9
Block first atom: 886
Blocpdb> 130 atoms in block 10
Block first atom: 944
Blocpdb> 110 atoms in block 11
Block first atom: 1074
Blocpdb> 96 atoms in block 12
Block first atom: 1184
Blocpdb> 123 atoms in block 13
Block first atom: 1280
Blocpdb> 109 atoms in block 14
Block first atom: 1403
Blocpdb> 98 atoms in block 15
Block first atom: 1512
Blocpdb> 112 atoms in block 16
Block first atom: 1610
Blocpdb> 107 atoms in block 17
Block first atom: 1722
Blocpdb> 58 atoms in block 18
Block first atom: 1829
Blocpdb> 130 atoms in block 19
Block first atom: 1887
Blocpdb> 110 atoms in block 20
Block first atom: 2017
Blocpdb> 96 atoms in block 21
Block first atom: 2127
Blocpdb> 123 atoms in block 22
Block first atom: 2223
Blocpdb> 109 atoms in block 23
Block first atom: 2346
Blocpdb> 98 atoms in block 24
Block first atom: 2455
Blocpdb> 112 atoms in block 25
Block first atom: 2553
Blocpdb> 107 atoms in block 26
Block first atom: 2665
Blocpdb> 58 atoms in block 27
Block first atom: 2772
Blocpdb> 130 atoms in block 28
Block first atom: 2830
Blocpdb> 110 atoms in block 29
Block first atom: 2960
Blocpdb> 96 atoms in block 30
Block first atom: 3070
Blocpdb> 123 atoms in block 31
Block first atom: 3166
Blocpdb> 109 atoms in block 32
Block first atom: 3289
Blocpdb> 98 atoms in block 33
Block first atom: 3398
Blocpdb> 112 atoms in block 34
Block first atom: 3496
Blocpdb> 107 atoms in block 35
Block first atom: 3608
Blocpdb> 58 atoms in block 36
Block first atom: 3715
Blocpdb> 130 atoms in block 37
Block first atom: 3773
Blocpdb> 110 atoms in block 38
Block first atom: 3903
Blocpdb> 96 atoms in block 39
Block first atom: 4013
Blocpdb> 123 atoms in block 40
Block first atom: 4109
Blocpdb> 109 atoms in block 41
Block first atom: 4232
Blocpdb> 98 atoms in block 42
Block first atom: 4341
Blocpdb> 112 atoms in block 43
Block first atom: 4439
Blocpdb> 107 atoms in block 44
Block first atom: 4551
Blocpdb> 58 atoms in block 45
Block first atom: 4658
Blocpdb> 130 atoms in block 46
Block first atom: 4716
Blocpdb> 110 atoms in block 47
Block first atom: 4846
Blocpdb> 96 atoms in block 48
Block first atom: 4956
Blocpdb> 123 atoms in block 49
Block first atom: 5052
Blocpdb> 109 atoms in block 50
Block first atom: 5175
Blocpdb> 98 atoms in block 51
Block first atom: 5284
Blocpdb> 112 atoms in block 52
Block first atom: 5382
Blocpdb> 107 atoms in block 53
Block first atom: 5494
Blocpdb> 58 atoms in block 54
Block first atom: 5601
Blocpdb> 130 atoms in block 55
Block first atom: 5659
Blocpdb> 110 atoms in block 56
Block first atom: 5789
Blocpdb> 96 atoms in block 57
Block first atom: 5899
Blocpdb> 123 atoms in block 58
Block first atom: 5995
Blocpdb> 109 atoms in block 59
Block first atom: 6118
Blocpdb> 98 atoms in block 60
Block first atom: 6227
Blocpdb> 112 atoms in block 61
Block first atom: 6325
Blocpdb> 107 atoms in block 62
Block first atom: 6437
Blocpdb> 58 atoms in block 63
Block first atom: 6544
Blocpdb> 130 atoms in block 64
Block first atom: 6602
Blocpdb> 110 atoms in block 65
Block first atom: 6732
Blocpdb> 96 atoms in block 66
Block first atom: 6842
Blocpdb> 123 atoms in block 67
Block first atom: 6938
Blocpdb> 109 atoms in block 68
Block first atom: 7061
Blocpdb> 98 atoms in block 69
Block first atom: 7170
Blocpdb> 112 atoms in block 70
Block first atom: 7268
Blocpdb> 107 atoms in block 71
Block first atom: 7380
Blocpdb> 58 atoms in block 72
Block first atom: 7487
Blocpdb> 130 atoms in block 73
Block first atom: 7545
Blocpdb> 110 atoms in block 74
Block first atom: 7675
Blocpdb> 96 atoms in block 75
Block first atom: 7785
Blocpdb> 123 atoms in block 76
Block first atom: 7881
Blocpdb> 109 atoms in block 77
Block first atom: 8004
Blocpdb> 98 atoms in block 78
Block first atom: 8113
Blocpdb> 112 atoms in block 79
Block first atom: 8211
Blocpdb> 107 atoms in block 80
Block first atom: 8323
Blocpdb> 58 atoms in block 81
Block first atom: 8430
Blocpdb> 130 atoms in block 82
Block first atom: 8488
Blocpdb> 110 atoms in block 83
Block first atom: 8618
Blocpdb> 96 atoms in block 84
Block first atom: 8728
Blocpdb> 123 atoms in block 85
Block first atom: 8824
Blocpdb> 109 atoms in block 86
Block first atom: 8947
Blocpdb> 98 atoms in block 87
Block first atom: 9056
Blocpdb> 112 atoms in block 88
Block first atom: 9154
Blocpdb> 107 atoms in block 89
Block first atom: 9266
Blocpdb> 58 atoms in block 90
Block first atom: 9373
Blocpdb> 130 atoms in block 91
Block first atom: 9431
Blocpdb> 110 atoms in block 92
Block first atom: 9561
Blocpdb> 96 atoms in block 93
Block first atom: 9671
Blocpdb> 123 atoms in block 94
Block first atom: 9767
Blocpdb> 109 atoms in block 95
Block first atom: 9890
Blocpdb> 98 atoms in block 96
Block first atom: 9999
Blocpdb> 112 atoms in block 97
Block first atom: 10097
Blocpdb> 107 atoms in block 98
Block first atom: 10209
Blocpdb> 58 atoms in block 99
Block first atom: 10316
Blocpdb> 130 atoms in block 100
Block first atom: 10374
Blocpdb> 110 atoms in block 101
Block first atom: 10504
Blocpdb> 96 atoms in block 102
Block first atom: 10614
Blocpdb> 123 atoms in block 103
Block first atom: 10710
Blocpdb> 109 atoms in block 104
Block first atom: 10833
Blocpdb> 98 atoms in block 105
Block first atom: 10942
Blocpdb> 112 atoms in block 106
Block first atom: 11040
Blocpdb> 107 atoms in block 107
Block first atom: 11152
Blocpdb> 58 atoms in block 108
Block first atom: 11259
Blocpdb> 130 atoms in block 109
Block first atom: 11317
Blocpdb> 110 atoms in block 110
Block first atom: 11447
Blocpdb> 96 atoms in block 111
Block first atom: 11557
Blocpdb> 123 atoms in block 112
Block first atom: 11653
Blocpdb> 109 atoms in block 113
Block first atom: 11776
Blocpdb> 98 atoms in block 114
Block first atom: 11885
Blocpdb> 112 atoms in block 115
Block first atom: 11983
Blocpdb> 107 atoms in block 116
Block first atom: 12095
Blocpdb> 58 atoms in block 117
Block first atom: 12202
Blocpdb> 130 atoms in block 118
Block first atom: 12260
Blocpdb> 110 atoms in block 119
Block first atom: 12390
Blocpdb> 96 atoms in block 120
Block first atom: 12500
Blocpdb> 123 atoms in block 121
Block first atom: 12596
Blocpdb> 109 atoms in block 122
Block first atom: 12719
Blocpdb> 98 atoms in block 123
Block first atom: 12828
Blocpdb> 112 atoms in block 124
Block first atom: 12926
Blocpdb> 107 atoms in block 125
Block first atom: 13038
Blocpdb> 58 atoms in block 126
Block first atom: 13145
Blocpdb> 130 atoms in block 127
Block first atom: 13203
Blocpdb> 110 atoms in block 128
Block first atom: 13333
Blocpdb> 96 atoms in block 129
Block first atom: 13443
Blocpdb> 123 atoms in block 130
Block first atom: 13539
Blocpdb> 109 atoms in block 131
Block first atom: 13662
Blocpdb> 98 atoms in block 132
Block first atom: 13771
Blocpdb> 112 atoms in block 133
Block first atom: 13869
Blocpdb> 107 atoms in block 134
Block first atom: 13981
Blocpdb> 58 atoms in block 135
Block first atom: 14088
Blocpdb> 130 atoms in block 136
Block first atom: 14146
Blocpdb> 110 atoms in block 137
Block first atom: 14276
Blocpdb> 96 atoms in block 138
Block first atom: 14386
Blocpdb> 123 atoms in block 139
Block first atom: 14482
Blocpdb> 109 atoms in block 140
Block first atom: 14605
Blocpdb> 98 atoms in block 141
Block first atom: 14714
Blocpdb> 112 atoms in block 142
Block first atom: 14812
Blocpdb> 107 atoms in block 143
Block first atom: 14924
Blocpdb> 58 atoms in block 144
Block first atom: 15031
Blocpdb> 130 atoms in block 145
Block first atom: 15089
Blocpdb> 110 atoms in block 146
Block first atom: 15219
Blocpdb> 96 atoms in block 147
Block first atom: 15329
Blocpdb> 123 atoms in block 148
Block first atom: 15425
Blocpdb> 109 atoms in block 149
Block first atom: 15548
Blocpdb> 98 atoms in block 150
Block first atom: 15657
Blocpdb> 112 atoms in block 151
Block first atom: 15755
Blocpdb> 107 atoms in block 152
Block first atom: 15867
Blocpdb> 58 atoms in block 153
Block first atom: 15974
Blocpdb> 130 atoms in block 154
Block first atom: 16032
Blocpdb> 110 atoms in block 155
Block first atom: 16162
Blocpdb> 96 atoms in block 156
Block first atom: 16272
Blocpdb> 123 atoms in block 157
Block first atom: 16368
Blocpdb> 109 atoms in block 158
Block first atom: 16491
Blocpdb> 98 atoms in block 159
Block first atom: 16600
Blocpdb> 112 atoms in block 160
Block first atom: 16698
Blocpdb> 107 atoms in block 161
Block first atom: 16810
Blocpdb> 58 atoms in block 162
Block first atom: 16917
Blocpdb> 130 atoms in block 163
Block first atom: 16975
Blocpdb> 110 atoms in block 164
Block first atom: 17105
Blocpdb> 96 atoms in block 165
Block first atom: 17215
Blocpdb> 123 atoms in block 166
Block first atom: 17311
Blocpdb> 109 atoms in block 167
Block first atom: 17434
Blocpdb> 98 atoms in block 168
Block first atom: 17543
Blocpdb> 112 atoms in block 169
Block first atom: 17641
Blocpdb> 107 atoms in block 170
Block first atom: 17753
Blocpdb> 58 atoms in block 171
Block first atom: 17860
Blocpdb> 130 atoms in block 172
Block first atom: 17918
Blocpdb> 110 atoms in block 173
Block first atom: 18048
Blocpdb> 96 atoms in block 174
Block first atom: 18158
Blocpdb> 123 atoms in block 175
Block first atom: 18254
Blocpdb> 109 atoms in block 176
Block first atom: 18377
Blocpdb> 98 atoms in block 177
Block first atom: 18486
Blocpdb> 112 atoms in block 178
Block first atom: 18584
Blocpdb> 107 atoms in block 179
Block first atom: 18696
Blocpdb> 58 atoms in block 180
Block first atom: 18802
Blocpdb> 180 blocks.
Blocpdb> At most, 130 atoms in each of them.
Blocpdb> At least, 58 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> 213000394 matrix lines read.
Prepmat> Matrix order = 56580
Prepmat> Matrix trace = 473170780.0001
Prepmat> Last element read: 56580 56580 14979.5147
Prepmat> 16291 lines saved.
Prepmat> 1462 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: 18860
RTB> Total mass = 18860.0000
RTB> Number of atoms found in matrix: 18860
RTB> Number of blocks = 180
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 8256965.2965
RTB> 531108 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 = 1080
Diagstd> Nb of non-zero elements: 531108
Diagstd> Projected matrix trace = 8256965.2965
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1080 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues =8256965.2965
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 497.8199654 733.6262515 892.7554466 1095.8810240
1414.0959799 1675.9154510 1737.6515932 2099.8517219 2184.1999217
2386.1040855 2563.9067422 2707.4962310 2714.1196986 2730.3832075
2760.5293101 2823.3906349 2834.7627215 2854.3493579 2886.4725598
2894.4089299 2912.2879381 2928.7591737 2940.3093919 2952.0852426
2967.1007137 2995.6479526 3033.8304045 3076.8406725 3102.4687060
3127.5473212 3184.8849832 3195.9579184 3450.4956839 3497.8734412
3613.2062322 3687.2996831 3754.3781466 3761.5965453 3811.7211785
3824.1013964 3831.4372033 3879.8331831 3908.5920922 3953.4889082
4004.5480401 4007.5238579 4016.4512068 4031.6095395 4042.0906132
4043.6822022 4048.4809318 4050.3334433 4054.9230053 4060.3150198
4065.5824510 4076.0120545 4079.5292026 4085.7224507 4098.7857003
4101.6963916 4107.3144832 4120.2538825 4126.1568070 4133.7434285
4136.8285603 4141.6439892 4143.6022589 4151.9562157 4157.7916438
4180.9652858 4189.2678620 4197.7356664 4203.0724489 4208.4357824
4209.2041362 4210.3009097 4212.2317627 4220.2708959 4226.3613271
4229.7941097 4240.8425927 4253.1502771 4253.8120801 4258.2746739
4267.5819291 4274.8192823 4274.9994897 4292.0578817 4304.7034115
4316.5466939 4359.2335653 4397.7984334 4436.9076415 4444.9651074
4468.9373221 4524.9198700 4632.9981953 4699.6937859 4723.1192893
4754.4508819
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034108 0.0034267 0.0034324 0.0034353 0.0034366
0.0034428 2422.8773801 2941.2552268 3244.6027691 3594.8186297
4083.5203488 4445.5073512 4526.6470348 4976.1056746 5075.0634216
5304.4452652 5498.5273864 5650.4002263 5657.3074164 5674.2319185
5705.4704657 5770.0657926 5781.6744850 5801.6141815 5834.1688871
5842.1839192 5860.1999718 5876.7485825 5888.3253174 5900.1048180
5915.0909172 5943.4781058 5981.2358815 6023.4843205 6048.5181062
6072.9153144 6128.3301915 6138.9741747 6378.7565092 6422.3996367
6527.4214696 6594.0084342 6653.7164127 6660.1097636 6704.3370995
6715.2158946 6721.6537371 6763.9720887 6788.9944680 6827.8746991
6871.8241010 6874.3768858 6882.0294692 6895.0038394 6903.9605768
6905.3196737 6909.4158088 6910.9964397 6914.9108664 6919.5068738
6923.9937441 6932.8692565 6935.8597616 6941.1225270 6952.2100709
6954.6781368 6959.4394166 6970.3930646 6975.3843806 6981.7941343
6984.3990054 6988.4628788 6990.1148409 6997.1577121 7002.0731149
7021.5591884 7028.5274498 7035.6272763 7040.0982208 7044.5885500
7045.2316023 7046.1494148 7047.7649191 7054.4871174 7059.5755796
7062.4420016 7071.6597531 7081.9139300 7082.4648921 7086.1789582
7093.9188156 7099.9315235 7100.0811727 7114.2326816 7124.7051726
7134.4993361 7169.6895293 7201.3337727 7233.2832911 7239.8481671
7259.3445882 7304.6721181 7391.3938761 7444.4061839 7462.9363479
7487.6487432
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 18860
Rtb_to_modes> Number of blocs = 180
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: 9.8653E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9580E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9912E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0016E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0052E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 497.8
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 733.6
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 892.8
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1096.
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1414.
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1676.
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1738.
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2100.
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2184.
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 2386.
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 2564.
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 2707.
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 2714.
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 2730.
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 2761.
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 2823.
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 2835.
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 2854.
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 2886.
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 2894.
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 2912.
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 2929.
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 2940.
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 2952.
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 2967.
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2996.
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 3034.
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 3077.
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 3102.
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 3128.
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 3185.
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3196.
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3450.
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3498.
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 3613.
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3687.
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 3754.
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3762.
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 3812.
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3824.
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3831.
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3880.
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3909.
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3953.
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 4005.
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 4008.
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 4016.
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 4032.
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 4042.
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 4044.
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4048.
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 4050.
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4055.
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4060.
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 4066.
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 4076.
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 4080.
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 4086.
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 4099.
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 4102.
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 4107.
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 4120.
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 4126.
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 4134.
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 4137.
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 4142.
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 4144.
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 4152.
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 4158.
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 4181.
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 4189.
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 4198.
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 4203.
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 4208.
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 4209.
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 4210.
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 4212.
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 4220.
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 4226.
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 4230.
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 4241.
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 4253.
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 4254.
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 4258.
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 4268.
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 4275.
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 4275.
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 4292.
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 4305.
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 4317.
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 4359.
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 4398.
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 4437.
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 4445.
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 4469.
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 4525.
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 4633.
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 4700.
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 4723.
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 4754.
Rtb_to_modes> 106 vectors, with 1080 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 1.00000
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 1.00000 0.99999 1.00000
0.99999 1.00000 1.00002 1.00003 0.99998
0.99999 0.99996 1.00000 1.00002 1.00003
1.00000 1.00003 0.99997 1.00000 1.00002
1.00000 0.99998 1.00000 1.00001 1.00001
1.00000 1.00002 1.00002 1.00001 1.00000
0.99999 0.99998 0.99999 0.99999 1.00001
1.00004 1.00000 0.99994 0.99999 0.99999
0.99998 0.99996 1.00004 1.00005 1.00003
1.00001 1.00006 0.99999 0.99998 1.00001
1.00000 1.00003 0.99998 1.00003 0.99999
1.00000 1.00000 1.00002 0.99994 0.99999
0.99995 1.00005 0.99999 1.00002 1.00002
0.99996 1.00004 1.00000 0.99998 1.00002
1.00000 1.00000 0.99999 0.99999 0.99997
1.00003 0.99999 1.00006 0.99998 0.99998
1.00002 0.99997 0.99996 1.00003 0.99999
0.99995 0.99997 1.00001 0.99998 1.00003
1.00000 1.00001 1.00000 0.99999 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 339480 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 0.99999 1.00000
1.00000 1.00000 1.00000 1.00000 1.00000
1.00000 1.00000 1.00000 0.99999 1.00000
0.99999 1.00000 1.00002 1.00003 0.99998
0.99999 0.99996 1.00000 1.00002 1.00003
1.00000 1.00003 0.99997 1.00000 1.00002
1.00000 0.99998 1.00000 1.00001 1.00001
1.00000 1.00002 1.00002 1.00001 1.00000
0.99999 0.99998 0.99999 0.99999 1.00001
1.00004 1.00000 0.99994 0.99999 0.99999
0.99998 0.99996 1.00004 1.00005 1.00003
1.00001 1.00006 0.99999 0.99998 1.00001
1.00000 1.00003 0.99998 1.00003 0.99999
1.00000 1.00000 1.00002 0.99994 0.99999
0.99995 1.00005 0.99999 1.00002 1.00002
0.99996 1.00004 1.00000 0.99998 1.00002
1.00000 1.00000 0.99999 0.99999 0.99997
1.00003 0.99999 1.00006 0.99998 0.99998
1.00002 0.99997 0.99996 1.00003 0.99999
0.99995 0.99997 1.00001 0.99998 1.00003
1.00000 1.00001 1.00000 0.99999 0.99999
1.00000
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> 240507033559759841.eigenfacs
Openam> file on opening on unit 10:
240507033559759841.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240507033559759841.atom
Openam> file on opening on unit 11:
240507033559759841.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 = 1200
First residue number = 1
Last residue number = 60
Number of atoms found = 18860
Mean number per residue = 15.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8653E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9580E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9912E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0016E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0052E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 497.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 733.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 892.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1096.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1414.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1676.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1738.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2100.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2184.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 2386.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 2564.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 2707.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 2714.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 2730.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 2761.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 2823.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 2835.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 2854.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 2886.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 2894.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 2912.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 2929.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 2940.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 2952.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 2967.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2996.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 3034.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 3077.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 3102.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 3128.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 3185.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3196.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3450.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3498.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 3613.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3687.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 3754.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3762.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 3812.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3824.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3831.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3880.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3909.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3953.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 4005.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 4008.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 4016.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 4032.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 4042.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 4044.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4048.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 4050.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4055.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4060.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 4066.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 4076.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 4080.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 4086.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 4099.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 4102.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 4107.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 4120.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 4126.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 4134.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 4137.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 4142.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 4144.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 4152.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 4158.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 4181.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 4189.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 4198.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 4203.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 4208.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 4209.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 4210.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 4212.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 4220.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 4226.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 4230.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 4241.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 4253.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 4254.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 4258.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 4268.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 4275.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 4275.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 4292.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 4305.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 4317.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 4359.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 4398.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 4437.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 4445.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 4469.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 4525.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 4633.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 4700.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 4723.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 4754.
Bfactors> 106 vectors, 56580 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 : 497.800000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.000 +/- 0.00
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240507033559759841 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=0
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=100
240507033559759841.eigenfacs
240507033559759841.atom
making animated gifs
11 models are in 240507033559759841.7.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 240507033559759841.7.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 240507033559759841.7.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 240507033559759841 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=0
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=100
240507033559759841.eigenfacs
240507033559759841.atom
making animated gifs
11 models are in 240507033559759841.8.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 240507033559759841.8.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 240507033559759841.8.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 240507033559759841 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=0
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=100
240507033559759841.eigenfacs
240507033559759841.atom
making animated gifs
11 models are in 240507033559759841.9.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 240507033559759841.9.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 240507033559759841.9.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 240507033559759841 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=0
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=100
240507033559759841.eigenfacs
240507033559759841.atom
making animated gifs
11 models are in 240507033559759841.10.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 240507033559759841.10.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 240507033559759841.10.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 240507033559759841 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=-20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=0
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=20
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=40
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=60
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=80
240507033559759841.eigenfacs
240507033559759841.atom
calculating perturbed structure for DQ=100
240507033559759841.eigenfacs
240507033559759841.atom
making animated gifs
11 models are in 240507033559759841.11.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 240507033559759841.11.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 240507033559759841.11.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
240507033559759841.10.pdb
240507033559759841.11.pdb
240507033559759841.7.pdb
240507033559759841.8.pdb
240507033559759841.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 4m9.356s
user 3m27.592s
sys 0m5.999s
../../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: 240507033559759841.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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