*** ***
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 = 240322170738138709.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 240322170738138709.atom to be opened.
Openam> File opened: 240322170738138709.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 = 282
First residue number = 1
Last residue number = 282
Number of atoms found = 4306
Mean number per residue = 15.3
Pdbmat> Coordinate statistics:
= 39.082272 +/- 10.166136 From: 11.732000 To: 61.686000
= 1.099871 +/- 10.603040 From: -20.445000 To: 29.289000
= 11.585081 +/- 10.350256 From: -14.478000 To: 33.969000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.7761 % Filled.
Pdbmat> 3150938 non-zero elements.
Pdbmat> 347283 atom-atom interactions.
Pdbmat> Number per atom= 161.30 +/- 46.98
Maximum number = 243
Minimum number = 22
Pdbmat> Matrix trace = 6.945660E+06
Pdbmat> Larger element = 865.506
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
282 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 240322170738138709.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 240322170738138709.atom to be opened.
Openam> file on opening on unit 11:
240322170738138709.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4306 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 282 residues.
Blocpdb> 41 atoms in block 1
Block first atom: 1
Blocpdb> 39 atoms in block 2
Block first atom: 42
Blocpdb> 27 atoms in block 3
Block first atom: 81
Blocpdb> 21 atoms in block 4
Block first atom: 108
Blocpdb> 30 atoms in block 5
Block first atom: 129
Blocpdb> 31 atoms in block 6
Block first atom: 159
Blocpdb> 28 atoms in block 7
Block first atom: 190
Blocpdb> 31 atoms in block 8
Block first atom: 218
Blocpdb> 33 atoms in block 9
Block first atom: 249
Blocpdb> 26 atoms in block 10
Block first atom: 282
Blocpdb> 33 atoms in block 11
Block first atom: 308
Blocpdb> 30 atoms in block 12
Block first atom: 341
Blocpdb> 26 atoms in block 13
Block first atom: 371
Blocpdb> 31 atoms in block 14
Block first atom: 397
Blocpdb> 23 atoms in block 15
Block first atom: 428
Blocpdb> 14 atoms in block 16
Block first atom: 451
Blocpdb> 31 atoms in block 17
Block first atom: 465
Blocpdb> 25 atoms in block 18
Block first atom: 496
Blocpdb> 38 atoms in block 19
Block first atom: 521
Blocpdb> 22 atoms in block 20
Block first atom: 559
Blocpdb> 38 atoms in block 21
Block first atom: 581
Blocpdb> 27 atoms in block 22
Block first atom: 619
Blocpdb> 33 atoms in block 23
Block first atom: 646
Blocpdb> 36 atoms in block 24
Block first atom: 679
Blocpdb> 24 atoms in block 25
Block first atom: 715
Blocpdb> 17 atoms in block 26
Block first atom: 739
Blocpdb> 33 atoms in block 27
Block first atom: 756
Blocpdb> 31 atoms in block 28
Block first atom: 789
Blocpdb> 23 atoms in block 29
Block first atom: 820
Blocpdb> 22 atoms in block 30
Block first atom: 843
Blocpdb> 25 atoms in block 31
Block first atom: 865
Blocpdb> 38 atoms in block 32
Block first atom: 890
Blocpdb> 17 atoms in block 33
Block first atom: 928
Blocpdb> 25 atoms in block 34
Block first atom: 945
Blocpdb> 27 atoms in block 35
Block first atom: 970
Blocpdb> 31 atoms in block 36
Block first atom: 997
Blocpdb> 30 atoms in block 37
Block first atom: 1028
Blocpdb> 36 atoms in block 38
Block first atom: 1058
Blocpdb> 40 atoms in block 39
Block first atom: 1094
Blocpdb> 33 atoms in block 40
Block first atom: 1134
Blocpdb> 32 atoms in block 41
Block first atom: 1167
Blocpdb> 25 atoms in block 42
Block first atom: 1199
Blocpdb> 29 atoms in block 43
Block first atom: 1224
Blocpdb> 41 atoms in block 44
Block first atom: 1253
Blocpdb> 35 atoms in block 45
Block first atom: 1294
Blocpdb> 40 atoms in block 46
Block first atom: 1329
Blocpdb> 30 atoms in block 47
Block first atom: 1369
Blocpdb> 28 atoms in block 48
Block first atom: 1399
Blocpdb> 25 atoms in block 49
Block first atom: 1427
Blocpdb> 36 atoms in block 50
Block first atom: 1452
Blocpdb> 31 atoms in block 51
Block first atom: 1488
Blocpdb> 43 atoms in block 52
Block first atom: 1519
Blocpdb> 26 atoms in block 53
Block first atom: 1562
Blocpdb> 32 atoms in block 54
Block first atom: 1588
Blocpdb> 23 atoms in block 55
Block first atom: 1620
Blocpdb> 27 atoms in block 56
Block first atom: 1643
Blocpdb> 38 atoms in block 57
Block first atom: 1670
Blocpdb> 26 atoms in block 58
Block first atom: 1708
Blocpdb> 43 atoms in block 59
Block first atom: 1734
Blocpdb> 30 atoms in block 60
Block first atom: 1777
Blocpdb> 26 atoms in block 61
Block first atom: 1807
Blocpdb> 21 atoms in block 62
Block first atom: 1833
Blocpdb> 29 atoms in block 63
Block first atom: 1854
Blocpdb> 25 atoms in block 64
Block first atom: 1883
Blocpdb> 20 atoms in block 65
Block first atom: 1908
Blocpdb> 29 atoms in block 66
Block first atom: 1928
Blocpdb> 26 atoms in block 67
Block first atom: 1957
Blocpdb> 30 atoms in block 68
Block first atom: 1983
Blocpdb> 30 atoms in block 69
Block first atom: 2013
Blocpdb> 34 atoms in block 70
Block first atom: 2043
Blocpdb> 34 atoms in block 71
Block first atom: 2077
Blocpdb> 21 atoms in block 72
Block first atom: 2111
Blocpdb> 36 atoms in block 73
Block first atom: 2132
Blocpdb> 31 atoms in block 74
Block first atom: 2168
Blocpdb> 32 atoms in block 75
Block first atom: 2199
Blocpdb> 24 atoms in block 76
Block first atom: 2231
Blocpdb> 43 atoms in block 77
Block first atom: 2255
Blocpdb> 24 atoms in block 78
Block first atom: 2298
Blocpdb> 36 atoms in block 79
Block first atom: 2322
Blocpdb> 25 atoms in block 80
Block first atom: 2358
Blocpdb> 30 atoms in block 81
Block first atom: 2383
Blocpdb> 45 atoms in block 82
Block first atom: 2413
Blocpdb> 39 atoms in block 83
Block first atom: 2458
Blocpdb> 32 atoms in block 84
Block first atom: 2497
Blocpdb> 29 atoms in block 85
Block first atom: 2529
Blocpdb> 35 atoms in block 86
Block first atom: 2558
Blocpdb> 32 atoms in block 87
Block first atom: 2593
Blocpdb> 17 atoms in block 88
Block first atom: 2625
Blocpdb> 29 atoms in block 89
Block first atom: 2642
Blocpdb> 37 atoms in block 90
Block first atom: 2671
Blocpdb> 41 atoms in block 91
Block first atom: 2708
Blocpdb> 38 atoms in block 92
Block first atom: 2749
Blocpdb> 26 atoms in block 93
Block first atom: 2787
Blocpdb> 27 atoms in block 94
Block first atom: 2813
Blocpdb> 27 atoms in block 95
Block first atom: 2840
Blocpdb> 29 atoms in block 96
Block first atom: 2867
Blocpdb> 33 atoms in block 97
Block first atom: 2896
Blocpdb> 28 atoms in block 98
Block first atom: 2929
Blocpdb> 35 atoms in block 99
Block first atom: 2957
Blocpdb> 30 atoms in block 100
Block first atom: 2992
Blocpdb> 29 atoms in block 101
Block first atom: 3022
Blocpdb> 43 atoms in block 102
Block first atom: 3051
Blocpdb> 25 atoms in block 103
Block first atom: 3094
Blocpdb> 37 atoms in block 104
Block first atom: 3119
Blocpdb> 37 atoms in block 105
Block first atom: 3156
Blocpdb> 33 atoms in block 106
Block first atom: 3193
Blocpdb> 33 atoms in block 107
Block first atom: 3226
Blocpdb> 35 atoms in block 108
Block first atom: 3259
Blocpdb> 24 atoms in block 109
Block first atom: 3294
Blocpdb> 35 atoms in block 110
Block first atom: 3318
Blocpdb> 33 atoms in block 111
Block first atom: 3353
Blocpdb> 36 atoms in block 112
Block first atom: 3386
Blocpdb> 24 atoms in block 113
Block first atom: 3422
Blocpdb> 38 atoms in block 114
Block first atom: 3446
Blocpdb> 30 atoms in block 115
Block first atom: 3484
Blocpdb> 21 atoms in block 116
Block first atom: 3514
Blocpdb> 26 atoms in block 117
Block first atom: 3535
Blocpdb> 43 atoms in block 118
Block first atom: 3561
Blocpdb> 18 atoms in block 119
Block first atom: 3604
Blocpdb> 30 atoms in block 120
Block first atom: 3622
Blocpdb> 21 atoms in block 121
Block first atom: 3652
Blocpdb> 26 atoms in block 122
Block first atom: 3673
Blocpdb> 29 atoms in block 123
Block first atom: 3699
Blocpdb> 27 atoms in block 124
Block first atom: 3728
Blocpdb> 24 atoms in block 125
Block first atom: 3755
Blocpdb> 27 atoms in block 126
Block first atom: 3779
Blocpdb> 38 atoms in block 127
Block first atom: 3806
Blocpdb> 40 atoms in block 128
Block first atom: 3844
Blocpdb> 29 atoms in block 129
Block first atom: 3884
Blocpdb> 38 atoms in block 130
Block first atom: 3913
Blocpdb> 29 atoms in block 131
Block first atom: 3951
Blocpdb> 31 atoms in block 132
Block first atom: 3980
Blocpdb> 27 atoms in block 133
Block first atom: 4011
Blocpdb> 40 atoms in block 134
Block first atom: 4038
Blocpdb> 31 atoms in block 135
Block first atom: 4078
Blocpdb> 24 atoms in block 136
Block first atom: 4109
Blocpdb> 30 atoms in block 137
Block first atom: 4133
Blocpdb> 32 atoms in block 138
Block first atom: 4163
Blocpdb> 29 atoms in block 139
Block first atom: 4195
Blocpdb> 46 atoms in block 140
Block first atom: 4224
Blocpdb> 37 atoms in block 141
Block first atom: 4269
Blocpdb> 141 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 14 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> 3151079 matrix lines read.
Prepmat> Matrix order = 12918
Prepmat> Matrix trace = 6945660.0000
Prepmat> Last element read: 12918 12918 356.3451
Prepmat> 10012 lines saved.
Prepmat> 8170 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: 4306
RTB> Total mass = 4306.0000
RTB> Number of atoms found in matrix: 4306
RTB> Number of blocks = 141
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 385935.8141
RTB> 64161 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 = 846
Diagstd> Nb of non-zero elements: 64161
Diagstd> Projected matrix trace = 385935.8141
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 846 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 385935.8141
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 9.9043561 10.4765020 12.7098751 19.1097637
20.7466585 24.3180919 26.5801236 28.5755993 30.5475091
32.5438504 34.1823864 36.2243005 36.9878099 38.6911628
41.8531262 43.9695524 45.1049677 46.1553193 47.2560508
49.9795024 50.9963554 53.4193343 54.5668221 57.3512441
57.7890490 60.0835187 61.7959867 63.7657586 65.9627202
67.6862932 69.2067437 71.3815635 72.6190379 74.2685351
76.4712044 78.3558718 81.0659710 81.2679513 83.5083807
86.2304179 87.2174323 90.2991863 91.6502111 92.4517838
94.0967536 97.1640538 99.7307762 100.0871711 102.6834529
103.7552388 104.3390644 107.1377965 109.3316205 109.5527262
112.3777905 113.8007293 116.1886688 117.3139318 119.3456336
120.4739397 121.5912163 125.9613351 126.6049986 128.2346144
131.3892883 131.9610255 133.0856470 135.6615548 136.2716759
136.5976888 140.5495051 141.0511337 142.5342224 143.8372824
144.5284682 145.9971350 148.6288222 148.8365830 151.1814200
152.7665249 153.5032143 154.1429713 154.6367844 155.9122664
156.6406130 159.6054885 160.9861360 161.9454005 163.7032007
163.9014156 164.9185420 166.2762057 167.8471623 168.5612354
170.6692551 172.1467419 174.6733610 176.0509891 177.1099805
178.3460466
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034308 0.0034318 0.0034321 0.0034342 0.0034351
0.0034357 341.7499050 351.4822766 387.1381069 474.7040515
494.6173650 535.5006817 559.8527017 580.4876095 600.1822976
619.4835060 634.8870518 653.5747784 660.4266484 675.4623882
702.5208720 720.0643381 729.3021071 737.7448056 746.4899971
767.6994763 775.4697293 793.6783178 802.1574314 822.3689454
825.5018563 841.7302974 853.6412948 867.1396514 881.9512070
893.3993779 903.3779543 917.4624708 925.3808881 935.8316070
949.6077392 961.2382714 977.7201703 978.9374343 992.3395746
1008.3830237 1014.1377021 1031.8990169 1039.5898126 1044.1260422
1053.3740137 1070.4049114 1084.4508658 1086.3868181 1100.3871554
1106.1150397 1109.2227016 1124.0008385 1135.4504138 1136.5979673
1151.1595609 1158.4246836 1170.5154978 1176.1699393 1186.3109730
1191.9055353 1197.4196526 1218.7479773 1221.8579158 1229.6964391
1244.7302968 1247.4355632 1252.7398433 1264.8052958 1267.6462579
1269.1616945 1287.3894347 1289.6847686 1296.4472645 1302.3598974
1305.4852827 1312.1015452 1323.8744432 1324.7994092 1335.1943636
1342.1757257 1345.4080357 1348.2087561 1350.3665930 1355.9242335
1359.0876540 1371.8896864 1377.8105900 1381.9094581 1389.3890305
1390.2299248 1394.5369424 1400.2653205 1406.8645353 1409.8539750
1418.6423706 1424.7697443 1435.1874191 1440.8358805 1445.1628799
1450.1970710
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4306
Rtb_to_modes> Number of blocs = 141
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: 9.9815E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9877E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9890E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.904
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 10.48
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 12.71
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 19.11
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 20.75
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 24.32
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 26.58
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 28.58
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 30.55
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 32.54
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 34.18
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 36.22
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 36.99
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 38.69
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 41.85
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 43.97
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 45.10
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 46.16
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 47.26
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 49.98
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 51.00
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 53.42
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 54.57
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 57.35
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 57.79
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 60.08
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 61.80
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 63.77
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 65.96
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 67.69
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 69.21
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 71.38
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 72.62
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 74.27
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 76.47
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 78.36
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 81.07
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 81.27
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 83.51
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 86.23
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 87.22
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 90.30
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 91.65
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 92.45
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 94.10
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 97.16
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 99.73
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 100.1
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 102.7
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 103.8
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 104.3
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 107.1
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 109.3
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 109.6
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 112.4
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 113.8
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 116.2
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 117.3
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 119.3
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 120.5
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 121.6
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 126.0
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 126.6
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 128.2
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 131.4
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 132.0
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 133.1
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 135.7
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 136.3
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 136.6
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 140.5
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 141.1
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 142.5
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 143.8
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 144.5
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 146.0
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 148.6
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 148.8
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 151.2
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 152.8
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 153.5
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 154.1
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 154.6
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 155.9
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 156.6
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 159.6
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 161.0
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 161.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 163.7
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 163.9
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 164.9
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 166.3
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 167.8
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 168.6
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 170.7
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 172.1
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 174.7
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 176.1
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 177.1
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 178.3
Rtb_to_modes> 106 vectors, with 846 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 1.00001 0.99999 1.00000 1.00001
0.99998 1.00002 0.99999 1.00001 1.00000
1.00002 0.99999 0.99999 0.99996 1.00001
1.00000 1.00000 0.99996 1.00001 0.99998
0.99999 1.00000 0.99999 0.99999 1.00001
0.99999 0.99999 1.00001 1.00000 1.00002
0.99999 0.99999 1.00002 1.00001 0.99997
1.00000 1.00001 1.00000 0.99996 1.00001
1.00001 0.99997 1.00002 1.00000 0.99998
1.00001 1.00002 1.00000 1.00000 1.00003
1.00003 0.99999 0.99999 1.00001 0.99999
0.99998 0.99998 0.99999 0.99999 1.00002
1.00001 0.99998 1.00000 0.99999 1.00001
1.00000 1.00001 0.99999 0.99998 1.00000
1.00001 1.00002 1.00004 0.99999 1.00000
1.00000 0.99997 0.99997 1.00000 1.00001
1.00000 1.00001 1.00001 1.00000 1.00000
0.99999 0.99998 1.00002 1.00002 1.00001
1.00000 0.99996 1.00002 1.00000 1.00001
0.99997 1.00001 0.99998 1.00001 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 77508 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 1.00001 0.99999 1.00000 1.00001
0.99998 1.00002 0.99999 1.00001 1.00000
1.00002 0.99999 0.99999 0.99996 1.00001
1.00000 1.00000 0.99996 1.00001 0.99998
0.99999 1.00000 0.99999 0.99999 1.00001
0.99999 0.99999 1.00001 1.00000 1.00002
0.99999 0.99999 1.00002 1.00001 0.99997
1.00000 1.00001 1.00000 0.99996 1.00001
1.00001 0.99997 1.00002 1.00000 0.99998
1.00001 1.00002 1.00000 1.00000 1.00003
1.00003 0.99999 0.99999 1.00001 0.99999
0.99998 0.99998 0.99999 0.99999 1.00002
1.00001 0.99998 1.00000 0.99999 1.00001
1.00000 1.00001 0.99999 0.99998 1.00000
1.00001 1.00002 1.00004 0.99999 1.00000
1.00000 0.99997 0.99997 1.00000 1.00001
1.00000 1.00001 1.00001 1.00000 1.00000
0.99999 0.99998 1.00002 1.00002 1.00001
1.00000 0.99996 1.00002 1.00000 1.00001
0.99997 1.00001 0.99998 1.00001 1.00000
0.99999
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> 240322170738138709.eigenfacs
Openam> file on opening on unit 10:
240322170738138709.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 240322170738138709.atom
Openam> file on opening on unit 11:
240322170738138709.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 = 282
First residue number = 1
Last residue number = 282
Number of atoms found = 4306
Mean number per residue = 15.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9815E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9877E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9890E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 10.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 12.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 19.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 20.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 24.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 26.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 28.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 30.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 32.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 34.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 36.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 36.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 38.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 41.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 43.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 45.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 46.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 47.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 49.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 51.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 53.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 54.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 57.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 57.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 60.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 61.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 63.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 65.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 67.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 69.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 71.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 72.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 74.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 76.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 78.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 81.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 81.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 83.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 86.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 87.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 90.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 91.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 92.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 94.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 97.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 99.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 100.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 102.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 103.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 104.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 107.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 109.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 109.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 112.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 113.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 116.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 117.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 119.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 121.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 126.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 126.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 128.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 131.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 132.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 133.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 135.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 136.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 136.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 140.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 141.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 142.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 143.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 144.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 146.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 148.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 148.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 151.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 152.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 153.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 154.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 154.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 155.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 156.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 159.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 161.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 161.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 163.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 163.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 164.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 166.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 167.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 168.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 170.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 172.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 174.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 176.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 177.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 178.3
Bfactors> 106 vectors, 12918 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 : 9.904000
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= 0.528 for 282 C-alpha atoms.
Bfactors> = 0.005 +/- 0.00
Bfactors> = 21.183 +/- 11.54
Bfactors> Shiftng-fct= 21.178
Bfactors> Scaling-fct= 2385.689
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 240322170738138709 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=0
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=100
240322170738138709.eigenfacs
240322170738138709.atom
making animated gifs
11 models are in 240322170738138709.7.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 240322170738138709.7.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 240322170738138709.7.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 240322170738138709 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=0
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=100
240322170738138709.eigenfacs
240322170738138709.atom
making animated gifs
11 models are in 240322170738138709.8.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 240322170738138709.8.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 240322170738138709.8.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 240322170738138709 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=0
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=100
240322170738138709.eigenfacs
240322170738138709.atom
making animated gifs
11 models are in 240322170738138709.9.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 240322170738138709.9.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 240322170738138709.9.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 240322170738138709 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=0
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=100
240322170738138709.eigenfacs
240322170738138709.atom
making animated gifs
11 models are in 240322170738138709.10.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 240322170738138709.10.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 240322170738138709.10.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 240322170738138709 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=-20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=0
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=20
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=40
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=60
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=80
240322170738138709.eigenfacs
240322170738138709.atom
calculating perturbed structure for DQ=100
240322170738138709.eigenfacs
240322170738138709.atom
making animated gifs
11 models are in 240322170738138709.11.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 240322170738138709.11.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 240322170738138709.11.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
240322170738138709.10.pdb
240322170738138709.11.pdb
240322170738138709.7.pdb
240322170738138709.8.pdb
240322170738138709.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.639s
user 0m15.542s
sys 0m0.096s
../../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: 240322170738138709.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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