*** ***
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 = 2403112345522842152.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 2403112345522842152.atom to be opened.
Openam> File opened: 2403112345522842152.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 = 302
First residue number = 54
Last residue number = 355
Number of atoms found = 4792
Mean number per residue = 15.9
Pdbmat> Coordinate statistics:
= 71.259209 +/- 8.632089 From: 49.280000 To: 95.770000
= -23.733708 +/- 15.275253 From: -59.790000 To: 8.000000
= 33.589303 +/- 10.274186 From: 5.320000 To: 63.450000
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 3.2485 % Filled.
Pdbmat> 3357011 non-zero elements.
Pdbmat> 370381 atom-atom interactions.
Pdbmat> Number per atom= 154.58 +/- 48.96
Maximum number = 250
Minimum number = 19
Pdbmat> Matrix trace = 7.407620E+06
Pdbmat> Larger element = 886.751
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
302 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 = 2403112345522842152.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 2403112345522842152.atom to be opened.
Openam> file on opening on unit 11:
2403112345522842152.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4792 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> 302 residues.
Blocpdb> 36 atoms in block 1
Block first atom: 1
Blocpdb> 39 atoms in block 2
Block first atom: 37
Blocpdb> 38 atoms in block 3
Block first atom: 76
Blocpdb> 27 atoms in block 4
Block first atom: 114
Blocpdb> 33 atoms in block 5
Block first atom: 141
Blocpdb> 34 atoms in block 6
Block first atom: 174
Blocpdb> 23 atoms in block 7
Block first atom: 208
Blocpdb> 34 atoms in block 8
Block first atom: 231
Blocpdb> 38 atoms in block 9
Block first atom: 265
Blocpdb> 28 atoms in block 10
Block first atom: 303
Blocpdb> 39 atoms in block 11
Block first atom: 331
Blocpdb> 35 atoms in block 12
Block first atom: 370
Blocpdb> 40 atoms in block 13
Block first atom: 405
Blocpdb> 30 atoms in block 14
Block first atom: 445
Blocpdb> 35 atoms in block 15
Block first atom: 475
Blocpdb> 17 atoms in block 16
Block first atom: 510
Blocpdb> 26 atoms in block 17
Block first atom: 527
Blocpdb> 25 atoms in block 18
Block first atom: 553
Blocpdb> 21 atoms in block 19
Block first atom: 578
Blocpdb> 26 atoms in block 20
Block first atom: 599
Blocpdb> 26 atoms in block 21
Block first atom: 625
Blocpdb> 44 atoms in block 22
Block first atom: 651
Blocpdb> 25 atoms in block 23
Block first atom: 695
Blocpdb> 25 atoms in block 24
Block first atom: 720
Blocpdb> 26 atoms in block 25
Block first atom: 745
Blocpdb> 33 atoms in block 26
Block first atom: 771
Blocpdb> 33 atoms in block 27
Block first atom: 804
Blocpdb> 37 atoms in block 28
Block first atom: 837
Blocpdb> 38 atoms in block 29
Block first atom: 874
Blocpdb> 33 atoms in block 30
Block first atom: 912
Blocpdb> 35 atoms in block 31
Block first atom: 945
Blocpdb> 25 atoms in block 32
Block first atom: 980
Blocpdb> 39 atoms in block 33
Block first atom: 1005
Blocpdb> 34 atoms in block 34
Block first atom: 1044
Blocpdb> 32 atoms in block 35
Block first atom: 1078
Blocpdb> 42 atoms in block 36
Block first atom: 1110
Blocpdb> 39 atoms in block 37
Block first atom: 1152
Blocpdb> 29 atoms in block 38
Block first atom: 1191
Blocpdb> 34 atoms in block 39
Block first atom: 1220
Blocpdb> 30 atoms in block 40
Block first atom: 1254
Blocpdb> 29 atoms in block 41
Block first atom: 1284
Blocpdb> 37 atoms in block 42
Block first atom: 1313
Blocpdb> 40 atoms in block 43
Block first atom: 1350
Blocpdb> 21 atoms in block 44
Block first atom: 1390
Blocpdb> 37 atoms in block 45
Block first atom: 1411
Blocpdb> 36 atoms in block 46
Block first atom: 1448
Blocpdb> 33 atoms in block 47
Block first atom: 1484
Blocpdb> 28 atoms in block 48
Block first atom: 1517
Blocpdb> 41 atoms in block 49
Block first atom: 1545
Blocpdb> 41 atoms in block 50
Block first atom: 1586
Blocpdb> 38 atoms in block 51
Block first atom: 1627
Blocpdb> 34 atoms in block 52
Block first atom: 1665
Blocpdb> 29 atoms in block 53
Block first atom: 1699
Blocpdb> 38 atoms in block 54
Block first atom: 1728
Blocpdb> 43 atoms in block 55
Block first atom: 1766
Blocpdb> 32 atoms in block 56
Block first atom: 1809
Blocpdb> 31 atoms in block 57
Block first atom: 1841
Blocpdb> 33 atoms in block 58
Block first atom: 1872
Blocpdb> 26 atoms in block 59
Block first atom: 1905
Blocpdb> 34 atoms in block 60
Block first atom: 1931
Blocpdb> 43 atoms in block 61
Block first atom: 1965
Blocpdb> 17 atoms in block 62
Block first atom: 2008
Blocpdb> 34 atoms in block 63
Block first atom: 2025
Blocpdb> 32 atoms in block 64
Block first atom: 2059
Blocpdb> 31 atoms in block 65
Block first atom: 2091
Blocpdb> 31 atoms in block 66
Block first atom: 2122
Blocpdb> 27 atoms in block 67
Block first atom: 2153
Blocpdb> 21 atoms in block 68
Block first atom: 2180
Blocpdb> 41 atoms in block 69
Block first atom: 2201
Blocpdb> 25 atoms in block 70
Block first atom: 2242
Blocpdb> 28 atoms in block 71
Block first atom: 2267
Blocpdb> 27 atoms in block 72
Block first atom: 2295
Blocpdb> 21 atoms in block 73
Block first atom: 2322
Blocpdb> 35 atoms in block 74
Block first atom: 2343
Blocpdb> 32 atoms in block 75
Block first atom: 2378
Blocpdb> 35 atoms in block 76
Block first atom: 2410
Blocpdb> 30 atoms in block 77
Block first atom: 2445
Blocpdb> 41 atoms in block 78
Block first atom: 2475
Blocpdb> 37 atoms in block 79
Block first atom: 2516
Blocpdb> 41 atoms in block 80
Block first atom: 2553
Blocpdb> 31 atoms in block 81
Block first atom: 2594
Blocpdb> 31 atoms in block 82
Block first atom: 2625
Blocpdb> 28 atoms in block 83
Block first atom: 2656
Blocpdb> 33 atoms in block 84
Block first atom: 2684
Blocpdb> 27 atoms in block 85
Block first atom: 2717
Blocpdb> 28 atoms in block 86
Block first atom: 2744
Blocpdb> 30 atoms in block 87
Block first atom: 2772
Blocpdb> 38 atoms in block 88
Block first atom: 2802
Blocpdb> 26 atoms in block 89
Block first atom: 2840
Blocpdb> 35 atoms in block 90
Block first atom: 2866
Blocpdb> 40 atoms in block 91
Block first atom: 2901
Blocpdb> 22 atoms in block 92
Block first atom: 2941
Blocpdb> 30 atoms in block 93
Block first atom: 2963
Blocpdb> 24 atoms in block 94
Block first atom: 2993
Blocpdb> 44 atoms in block 95
Block first atom: 3017
Blocpdb> 31 atoms in block 96
Block first atom: 3061
Blocpdb> 28 atoms in block 97
Block first atom: 3092
Blocpdb> 28 atoms in block 98
Block first atom: 3120
Blocpdb> 32 atoms in block 99
Block first atom: 3148
Blocpdb> 41 atoms in block 100
Block first atom: 3180
Blocpdb> 28 atoms in block 101
Block first atom: 3221
Blocpdb> 38 atoms in block 102
Block first atom: 3249
Blocpdb> 35 atoms in block 103
Block first atom: 3287
Blocpdb> 24 atoms in block 104
Block first atom: 3322
Blocpdb> 25 atoms in block 105
Block first atom: 3346
Blocpdb> 36 atoms in block 106
Block first atom: 3371
Blocpdb> 33 atoms in block 107
Block first atom: 3407
Blocpdb> 34 atoms in block 108
Block first atom: 3440
Blocpdb> 21 atoms in block 109
Block first atom: 3474
Blocpdb> 38 atoms in block 110
Block first atom: 3495
Blocpdb> 33 atoms in block 111
Block first atom: 3533
Blocpdb> 24 atoms in block 112
Block first atom: 3566
Blocpdb> 30 atoms in block 113
Block first atom: 3590
Blocpdb> 28 atoms in block 114
Block first atom: 3620
Blocpdb> 43 atoms in block 115
Block first atom: 3648
Blocpdb> 38 atoms in block 116
Block first atom: 3691
Blocpdb> 36 atoms in block 117
Block first atom: 3729
Blocpdb> 37 atoms in block 118
Block first atom: 3765
Blocpdb> 17 atoms in block 119
Block first atom: 3802
Blocpdb> 28 atoms in block 120
Block first atom: 3819
Blocpdb> 26 atoms in block 121
Block first atom: 3847
Blocpdb> 39 atoms in block 122
Block first atom: 3873
Blocpdb> 24 atoms in block 123
Block first atom: 3912
Blocpdb> 36 atoms in block 124
Block first atom: 3936
Blocpdb> 26 atoms in block 125
Block first atom: 3972
Blocpdb> 14 atoms in block 126
Block first atom: 3998
Blocpdb> 24 atoms in block 127
Block first atom: 4012
Blocpdb> 32 atoms in block 128
Block first atom: 4036
Blocpdb> 23 atoms in block 129
Block first atom: 4068
Blocpdb> 44 atoms in block 130
Block first atom: 4091
Blocpdb> 31 atoms in block 131
Block first atom: 4135
Blocpdb> 36 atoms in block 132
Block first atom: 4166
Blocpdb> 26 atoms in block 133
Block first atom: 4202
Blocpdb> 43 atoms in block 134
Block first atom: 4228
Blocpdb> 22 atoms in block 135
Block first atom: 4271
Blocpdb> 23 atoms in block 136
Block first atom: 4293
Blocpdb> 24 atoms in block 137
Block first atom: 4316
Blocpdb> 30 atoms in block 138
Block first atom: 4340
Blocpdb> 29 atoms in block 139
Block first atom: 4370
Blocpdb> 25 atoms in block 140
Block first atom: 4399
Blocpdb> 38 atoms in block 141
Block first atom: 4424
Blocpdb> 31 atoms in block 142
Block first atom: 4462
Blocpdb> 44 atoms in block 143
Block first atom: 4493
Blocpdb> 34 atoms in block 144
Block first atom: 4537
Blocpdb> 27 atoms in block 145
Block first atom: 4571
Blocpdb> 35 atoms in block 146
Block first atom: 4598
Blocpdb> 48 atoms in block 147
Block first atom: 4633
Blocpdb> 32 atoms in block 148
Block first atom: 4681
Blocpdb> 21 atoms in block 149
Block first atom: 4713
Blocpdb> 31 atoms in block 150
Block first atom: 4734
Blocpdb> 28 atoms in block 151
Block first atom: 4764
Blocpdb> 151 blocks.
Blocpdb> At most, 48 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> 3357162 matrix lines read.
Prepmat> Matrix order = 14376
Prepmat> Matrix trace = 7407620.0000
Prepmat> Last element read: 14376 14376 139.2368
Prepmat> 11477 lines saved.
Prepmat> 9614 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: 4792
RTB> Total mass = 4792.0000
RTB> Number of atoms found in matrix: 4792
RTB> Number of blocks = 151
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 392387.1707
RTB> 64756 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 = 906
Diagstd> Nb of non-zero elements: 64756
Diagstd> Projected matrix trace = 392387.1707
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 906 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 392387.1707
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 4.1724659 5.1971540 6.0721701 7.7417741
8.9139642 11.9852353 13.5883445 16.2521195 17.3510169
18.1841941 19.8859084 20.1142516 22.0899889 24.4134628
25.7482150 28.2408217 30.1122620 31.7264140 32.1140757
32.9098746 35.8699988 36.6879567 39.2170622 40.8106571
42.4886927 45.5012554 46.5688384 47.9808549 49.1896184
50.5688718 52.1751285 54.1895620 54.4526572 56.4531295
58.1923526 60.3988552 61.8125827 62.8041052 64.3632442
65.7711998 67.2292875 67.6835878 69.0289378 70.7083594
72.2555361 72.9283508 73.9375839 75.7561236 76.4931821
79.1062398 80.4890122 81.0131964 81.9055147 83.3909302
83.5967883 85.0289600 86.9430820 88.4299159 88.7777536
90.2109424 91.8218878 93.3729935 95.4078001 97.0779146
98.3565696 101.2359649 101.8459873 103.4278645 104.4889633
104.7280571 105.5286671 106.3519905 108.1818137 110.5120780
110.7426197 111.7101798 113.2756913 114.2332911 114.7802522
115.9039625 116.9975195 117.4235229 119.6817031 120.7910292
122.7073500 125.1580190 125.2204171 126.8999916 128.1467208
128.9498610 131.0374815 132.0945030 133.4301505 134.2644226
134.7639288 136.1971036 137.7896094 138.6330934 142.0347594
142.4776869
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034324 0.0034349 0.0034357 0.0034362
0.0034370 221.8153910 247.5586313 267.5883759 302.1450809
324.2132219 375.9400221 400.2935149 437.7743213 452.3324523
463.0653755 484.2481800 487.0204745 510.3792730 536.5497196
551.0218797 577.0772386 595.8911985 611.6539345 615.3794565
622.9574640 650.3706906 657.7442238 680.0374162 693.7165798
707.8348887 732.4988883 741.0422723 752.1929713 761.6088938
772.2126513 784.3809613 799.3796728 801.3178535 815.9044307
828.3773922 843.9362348 853.7559143 860.5761314 871.1927319
880.6699189 890.3782334 893.3815235 902.2167290 913.1258986
923.0619391 927.3495733 933.7441797 945.1574290 949.7441875
965.8299109 974.2346665 977.4018667 982.7699129 991.6414906
992.8647145 1001.3334264 1012.5414155 1021.1625665 1023.1689591
1031.3946875 1040.5630232 1049.3150973 1060.6869397 1069.9303314
1076.9535371 1092.6037670 1095.8907006 1104.3686232 1110.0191988
1111.2884578 1115.5280796 1119.8712402 1129.4640426 1141.5637065
1142.7538069 1147.7350796 1155.7493048 1160.6242083 1163.3994862
1169.0805150 1174.5827198 1176.7191823 1187.9800860 1193.4730625
1202.9028917 1214.8554898 1215.1582880 1223.2805678 1229.2749422
1233.1210729 1243.0627401 1248.0662894 1254.3602073 1258.2755408
1260.6139595 1267.2993619 1274.6868771 1278.5824450 1294.1737902
1296.1901239
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4792
Rtb_to_modes> Number of blocs = 151
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: 9.9869E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9909E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0010E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0018E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.172
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.197
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.072
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.742
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 8.914
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 11.99
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 13.59
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 16.25
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 17.35
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 18.18
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 19.89
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 20.11
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 22.09
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 24.41
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 25.75
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 28.24
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 30.11
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 31.73
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 32.11
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 32.91
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 35.87
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 36.69
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 39.22
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 40.81
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 42.49
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 45.50
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 46.57
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 47.98
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 49.19
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 50.57
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 52.18
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 54.19
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 54.45
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 56.45
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 58.19
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 60.40
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 61.81
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 62.80
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 64.36
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 65.77
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 67.23
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 67.68
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 69.03
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 70.71
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 72.26
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 72.93
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 73.94
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 75.76
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 76.49
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 79.11
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 80.49
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 81.01
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 81.91
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 83.39
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 83.60
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 85.03
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 86.94
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 88.43
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 88.78
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 90.21
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 91.82
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 93.37
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 95.41
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 97.08
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 98.36
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 101.2
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 101.8
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 103.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 104.5
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 104.7
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 105.5
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 106.4
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 108.2
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 110.5
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 110.7
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 111.7
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 113.3
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 114.2
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 114.8
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 115.9
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 117.0
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 117.4
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 119.7
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 120.8
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 122.7
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 125.2
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 125.2
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 126.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 128.1
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 128.9
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 131.0
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 132.1
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 133.4
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 134.3
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 134.8
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 136.2
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 137.8
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 138.6
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 142.0
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 142.5
Rtb_to_modes> 106 vectors, with 906 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00001 0.99999 0.99997 1.00000
1.00000 1.00002 1.00002 1.00002 0.99998
1.00003 0.99996 1.00000 1.00002 1.00004
1.00004 1.00001 1.00000 1.00000 1.00002
1.00001 0.99999 0.99997 1.00000 0.99999
1.00002 0.99997 1.00001 1.00000 0.99999
1.00002 0.99998 0.99999 1.00001 0.99999
0.99996 1.00001 1.00000 0.99998 1.00000
1.00002 0.99998 1.00003 1.00002 1.00001
0.99997 1.00002 0.99998 1.00002 0.99999
1.00001 1.00003 0.99998 1.00001 1.00000
0.99999 1.00002 1.00003 1.00000 0.99999
1.00001 0.99999 1.00001 0.99999 0.99999
0.99998 1.00000 1.00001 1.00001 1.00000
0.99999 1.00002 0.99998 1.00001 0.99997
1.00000 1.00000 0.99998 1.00000 1.00001
0.99998 0.99999 0.99998 1.00003 1.00000
1.00002 1.00001 1.00000 0.99999 0.99998
1.00002 0.99998 0.99998 1.00001 1.00001
1.00002 0.99999 1.00001 0.99998 0.99998
1.00000 1.00000 0.99998 0.99999 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 86256 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00001 0.99999 0.99997 1.00000
1.00000 1.00002 1.00002 1.00002 0.99998
1.00003 0.99996 1.00000 1.00002 1.00004
1.00004 1.00001 1.00000 1.00000 1.00002
1.00001 0.99999 0.99997 1.00000 0.99999
1.00002 0.99997 1.00001 1.00000 0.99999
1.00002 0.99998 0.99999 1.00001 0.99999
0.99996 1.00001 1.00000 0.99998 1.00000
1.00002 0.99998 1.00003 1.00002 1.00001
0.99997 1.00002 0.99998 1.00002 0.99999
1.00001 1.00003 0.99998 1.00001 1.00000
0.99999 1.00002 1.00003 1.00000 0.99999
1.00001 0.99999 1.00001 0.99999 0.99999
0.99998 1.00000 1.00001 1.00001 1.00000
0.99999 1.00002 0.99998 1.00001 0.99997
1.00000 1.00000 0.99998 1.00000 1.00001
0.99998 0.99999 0.99998 1.00003 1.00000
1.00002 1.00001 1.00000 0.99999 0.99998
1.00002 0.99998 0.99998 1.00001 1.00001
1.00002 0.99999 1.00001 0.99998 0.99998
1.00000 1.00000 0.99998 0.99999 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> 2403112345522842152.eigenfacs
Openam> file on opening on unit 10:
2403112345522842152.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403112345522842152.atom
Openam> file on opening on unit 11:
2403112345522842152.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 = 302
First residue number = 54
Last residue number = 355
Number of atoms found = 4792
Mean number per residue = 15.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9869E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9909E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0010E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0018E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.072
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.742
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 8.914
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 11.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 13.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 16.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 17.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 18.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 19.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 20.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 22.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 24.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 25.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 28.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 30.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 31.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 32.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 32.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 35.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 36.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 39.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 40.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 42.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 45.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 46.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 47.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 49.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 50.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 52.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 54.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 54.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 56.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 58.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 60.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 61.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 62.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 64.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 65.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 67.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 67.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 69.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 70.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 72.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 72.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 73.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 75.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 76.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 79.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 80.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 81.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 81.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 83.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 83.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 85.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 86.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 88.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 88.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 90.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 91.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 93.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 95.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 97.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 98.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 101.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 101.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 103.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 104.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 104.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 105.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 106.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 108.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 110.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 110.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 111.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 113.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 114.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 114.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 115.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 117.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 117.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 119.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 120.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 122.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 125.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 125.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 126.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 128.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 128.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 131.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 132.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 133.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 134.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 134.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 136.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 137.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 138.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 142.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 142.5
Bfactors> 106 vectors, 14376 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 4.172000
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> = 0.007 +/- 0.01
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.007
Bfactors> Scaling-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 2403112345522842152 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=0
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=100
2403112345522842152.eigenfacs
2403112345522842152.atom
making animated gifs
11 models are in 2403112345522842152.7.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 2403112345522842152.7.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 2403112345522842152.7.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 2403112345522842152 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=0
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=100
2403112345522842152.eigenfacs
2403112345522842152.atom
making animated gifs
11 models are in 2403112345522842152.8.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 2403112345522842152.8.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 2403112345522842152.8.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 2403112345522842152 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=0
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=100
2403112345522842152.eigenfacs
2403112345522842152.atom
making animated gifs
11 models are in 2403112345522842152.9.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 2403112345522842152.9.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 2403112345522842152.9.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 2403112345522842152 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=0
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=100
2403112345522842152.eigenfacs
2403112345522842152.atom
making animated gifs
11 models are in 2403112345522842152.10.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 2403112345522842152.10.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 2403112345522842152.10.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 2403112345522842152 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=-20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=0
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=20
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=40
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=60
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=80
2403112345522842152.eigenfacs
2403112345522842152.atom
calculating perturbed structure for DQ=100
2403112345522842152.eigenfacs
2403112345522842152.atom
making animated gifs
11 models are in 2403112345522842152.11.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 2403112345522842152.11.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 2403112345522842152.11.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
2403112345522842152.10.pdb
2403112345522842152.11.pdb
2403112345522842152.7.pdb
2403112345522842152.8.pdb
2403112345522842152.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m19.664s
user 0m19.551s
sys 0m0.112s
../../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: 2403112345522842152.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
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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
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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