CNRS Nantes University US2B US2B
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***  TERT-TPP1-7TRE  ***

LOGs for ID: 240113201315970423

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 = 240113201315970423.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 240113201315970423.atom to be opened. Openam> File opened: 240113201315970423.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 = 1086 First residue number = 7 Last residue number = 241 Number of atoms found = 8659 Mean number per residue = 8.0 Pdbmat> Coordinate statistics: = 144.574123 +/- 25.298675 From: 81.548000 To: 201.545000 = 145.648677 +/- 20.657636 From: 101.929000 To: 190.234000 = 130.641036 +/- 16.150549 From: 93.285000 To: 171.719000 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 0.8843 % Filled. Pdbmat> 2983874 non-zero elements. Pdbmat> 325825 atom-atom interactions. Pdbmat> Number per atom= 75.26 +/- 21.18 Maximum number = 124 Minimum number = 9 Pdbmat> Matrix trace = 6.516500E+06 Pdbmat> Larger element = 489.641 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1086 non-zero elements, NRBL set to 6 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 = 240113201315970423.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 6 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 240113201315970423.atom to be opened. Openam> file on opening on unit 11: 240113201315970423.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 8659 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 6 residue(s) per block. Blocpdb> 1086 residues. Blocpdb> 46 atoms in block 1 Block first atom: 1 Blocpdb> 55 atoms in block 2 Block first atom: 47 Blocpdb> 50 atoms in block 3 Block first atom: 102 Blocpdb> 52 atoms in block 4 Block first atom: 152 Blocpdb> 46 atoms in block 5 Block first atom: 204 Blocpdb> 50 atoms in block 6 Block first atom: 250 Blocpdb> 47 atoms in block 7 Block first atom: 300 Blocpdb> 40 atoms in block 8 Block first atom: 347 Blocpdb> 49 atoms in block 9 Block first atom: 387 Blocpdb> 45 atoms in block 10 Block first atom: 436 Blocpdb> 45 atoms in block 11 Block first atom: 481 Blocpdb> 45 atoms in block 12 Block first atom: 526 Blocpdb> 47 atoms in block 13 Block first atom: 571 Blocpdb> 51 atoms in block 14 Block first atom: 618 Blocpdb> 44 atoms in block 15 Block first atom: 669 Blocpdb> 44 atoms in block 16 Block first atom: 713 Blocpdb> 16 atoms in block 17 Block first atom: 757 Blocpdb> 49 atoms in block 18 Block first atom: 773 Blocpdb> 44 atoms in block 19 Block first atom: 822 Blocpdb> 42 atoms in block 20 Block first atom: 866 Blocpdb> 43 atoms in block 21 Block first atom: 908 Blocpdb> 49 atoms in block 22 Block first atom: 951 Blocpdb> 48 atoms in block 23 Block first atom: 1000 Blocpdb> 43 atoms in block 24 Block first atom: 1048 Blocpdb> 45 atoms in block 25 Block first atom: 1091 Blocpdb> 45 atoms in block 26 Block first atom: 1136 Blocpdb> 44 atoms in block 27 Block first atom: 1181 Blocpdb> 17 atoms in block 28 Block first atom: 1225 Blocpdb> 47 atoms in block 29 Block first atom: 1242 Blocpdb> 57 atoms in block 30 Block first atom: 1289 Blocpdb> 42 atoms in block 31 Block first atom: 1346 Blocpdb> 52 atoms in block 32 Block first atom: 1388 Blocpdb> 47 atoms in block 33 Block first atom: 1440 Blocpdb> 37 atoms in block 34 Block first atom: 1487 Blocpdb> 53 atoms in block 35 Block first atom: 1524 Blocpdb> 48 atoms in block 36 Block first atom: 1577 Blocpdb> 47 atoms in block 37 Block first atom: 1625 Blocpdb> 55 atoms in block 38 Block first atom: 1672 Blocpdb> 61 atoms in block 39 Block first atom: 1727 Blocpdb> 54 atoms in block 40 Block first atom: 1788 Blocpdb> 45 atoms in block 41 Block first atom: 1842 Blocpdb> 49 atoms in block 42 Block first atom: 1887 Blocpdb> 43 atoms in block 43 Block first atom: 1936 Blocpdb> 42 atoms in block 44 Block first atom: 1979 Blocpdb> 52 atoms in block 45 Block first atom: 2021 Blocpdb> 55 atoms in block 46 Block first atom: 2073 Blocpdb> 49 atoms in block 47 Block first atom: 2128 Blocpdb> 50 atoms in block 48 Block first atom: 2177 Blocpdb> 51 atoms in block 49 Block first atom: 2227 Blocpdb> 44 atoms in block 50 Block first atom: 2278 Blocpdb> 55 atoms in block 51 Block first atom: 2322 Blocpdb> 56 atoms in block 52 Block first atom: 2377 Blocpdb> 51 atoms in block 53 Block first atom: 2433 Blocpdb> 45 atoms in block 54 Block first atom: 2484 Blocpdb> 47 atoms in block 55 Block first atom: 2529 Blocpdb> 55 atoms in block 56 Block first atom: 2576 Blocpdb> 52 atoms in block 57 Block first atom: 2631 Blocpdb> 39 atoms in block 58 Block first atom: 2683 Blocpdb> 39 atoms in block 59 Block first atom: 2722 Blocpdb> 58 atoms in block 60 Block first atom: 2761 Blocpdb> 49 atoms in block 61 Block first atom: 2819 Blocpdb> 53 atoms in block 62 Block first atom: 2868 Blocpdb> 51 atoms in block 63 Block first atom: 2921 Blocpdb> 58 atoms in block 64 Block first atom: 2972 Blocpdb> 50 atoms in block 65 Block first atom: 3030 Blocpdb> 58 atoms in block 66 Block first atom: 3080 Blocpdb> 59 atoms in block 67 Block first atom: 3138 Blocpdb> 46 atoms in block 68 Block first atom: 3197 Blocpdb> 50 atoms in block 69 Block first atom: 3243 Blocpdb> 55 atoms in block 70 Block first atom: 3293 Blocpdb> 46 atoms in block 71 Block first atom: 3348 Blocpdb> 57 atoms in block 72 Block first atom: 3394 Blocpdb> 44 atoms in block 73 Block first atom: 3451 Blocpdb> 54 atoms in block 74 Block first atom: 3495 Blocpdb> 43 atoms in block 75 Block first atom: 3549 Blocpdb> 49 atoms in block 76 Block first atom: 3592 Blocpdb> 42 atoms in block 77 Block first atom: 3641 Blocpdb> 46 atoms in block 78 Block first atom: 3683 Blocpdb> 51 atoms in block 79 Block first atom: 3729 Blocpdb> 50 atoms in block 80 Block first atom: 3780 Blocpdb> 49 atoms in block 81 Block first atom: 3830 Blocpdb> 38 atoms in block 82 Block first atom: 3879 Blocpdb> 44 atoms in block 83 Block first atom: 3917 Blocpdb> 58 atoms in block 84 Block first atom: 3961 Blocpdb> 55 atoms in block 85 Block first atom: 4019 Blocpdb> 43 atoms in block 86 Block first atom: 4074 Blocpdb> 56 atoms in block 87 Block first atom: 4117 Blocpdb> 38 atoms in block 88 Block first atom: 4173 Blocpdb> 51 atoms in block 89 Block first atom: 4211 Blocpdb> 50 atoms in block 90 Block first atom: 4262 Blocpdb> 44 atoms in block 91 Block first atom: 4312 Blocpdb> 49 atoms in block 92 Block first atom: 4356 Blocpdb> 53 atoms in block 93 Block first atom: 4405 Blocpdb> 45 atoms in block 94 Block first atom: 4458 Blocpdb> 46 atoms in block 95 Block first atom: 4503 Blocpdb> 49 atoms in block 96 Block first atom: 4549 Blocpdb> 47 atoms in block 97 Block first atom: 4598 Blocpdb> 58 atoms in block 98 Block first atom: 4645 Blocpdb> 48 atoms in block 99 Block first atom: 4703 Blocpdb> 47 atoms in block 100 Block first atom: 4751 Blocpdb> 45 atoms in block 101 Block first atom: 4798 Blocpdb> 43 atoms in block 102 Block first atom: 4843 Blocpdb> 40 atoms in block 103 Block first atom: 4886 Blocpdb> 56 atoms in block 104 Block first atom: 4926 Blocpdb> 46 atoms in block 105 Block first atom: 4982 Blocpdb> 49 atoms in block 106 Block first atom: 5028 Blocpdb> 47 atoms in block 107 Block first atom: 5077 Blocpdb> 42 atoms in block 108 Block first atom: 5124 Blocpdb> 43 atoms in block 109 Block first atom: 5166 Blocpdb> 44 atoms in block 110 Block first atom: 5209 Blocpdb> 53 atoms in block 111 Block first atom: 5253 Blocpdb> 47 atoms in block 112 Block first atom: 5306 Blocpdb> 47 atoms in block 113 Block first atom: 5353 Blocpdb> 50 atoms in block 114 Block first atom: 5400 Blocpdb> 46 atoms in block 115 Block first atom: 5450 Blocpdb> 50 atoms in block 116 Block first atom: 5496 Blocpdb> 48 atoms in block 117 Block first atom: 5546 Blocpdb> 45 atoms in block 118 Block first atom: 5594 Blocpdb> 50 atoms in block 119 Block first atom: 5639 Blocpdb> 47 atoms in block 120 Block first atom: 5689 Blocpdb> 46 atoms in block 121 Block first atom: 5736 Blocpdb> 38 atoms in block 122 Block first atom: 5782 Blocpdb> 43 atoms in block 123 Block first atom: 5820 Blocpdb> 50 atoms in block 124 Block first atom: 5863 Blocpdb> 50 atoms in block 125 Block first atom: 5913 Blocpdb> 46 atoms in block 126 Block first atom: 5963 Blocpdb> 49 atoms in block 127 Block first atom: 6009 Blocpdb> 48 atoms in block 128 Block first atom: 6058 Blocpdb> 51 atoms in block 129 Block first atom: 6106 Blocpdb> 44 atoms in block 130 Block first atom: 6157 Blocpdb> 55 atoms in block 131 Block first atom: 6201 Blocpdb> 49 atoms in block 132 Block first atom: 6256 Blocpdb> 50 atoms in block 133 Block first atom: 6305 Blocpdb> 48 atoms in block 134 Block first atom: 6355 Blocpdb> 43 atoms in block 135 Block first atom: 6403 Blocpdb> 52 atoms in block 136 Block first atom: 6446 Blocpdb> 50 atoms in block 137 Block first atom: 6498 Blocpdb> 50 atoms in block 138 Block first atom: 6548 Blocpdb> 53 atoms in block 139 Block first atom: 6598 Blocpdb> 56 atoms in block 140 Block first atom: 6651 Blocpdb> 55 atoms in block 141 Block first atom: 6707 Blocpdb> 41 atoms in block 142 Block first atom: 6762 Blocpdb> 46 atoms in block 143 Block first atom: 6803 Blocpdb> 44 atoms in block 144 Block first atom: 6849 Blocpdb> 35 atoms in block 145 Block first atom: 6893 Blocpdb> 34 atoms in block 146 Block first atom: 6928 Blocpdb> 42 atoms in block 147 Block first atom: 6962 Blocpdb> 56 atoms in block 148 Block first atom: 7004 Blocpdb> 49 atoms in block 149 Block first atom: 7060 Blocpdb> 53 atoms in block 150 Block first atom: 7109 Blocpdb> 46 atoms in block 151 Block first atom: 7162 Blocpdb> 46 atoms in block 152 Block first atom: 7208 Blocpdb> 50 atoms in block 153 Block first atom: 7254 Blocpdb> 41 atoms in block 154 Block first atom: 7304 Blocpdb> 39 atoms in block 155 Block first atom: 7345 Blocpdb> 40 atoms in block 156 Block first atom: 7384 Blocpdb> 49 atoms in block 157 Block first atom: 7424 Blocpdb> 16 atoms in block 158 Block first atom: 7473 Blocpdb> 44 atoms in block 159 Block first atom: 7489 Blocpdb> 60 atoms in block 160 Block first atom: 7533 Blocpdb> 43 atoms in block 161 Block first atom: 7593 Blocpdb> 44 atoms in block 162 Block first atom: 7636 Blocpdb> 43 atoms in block 163 Block first atom: 7680 Blocpdb> 46 atoms in block 164 Block first atom: 7723 Blocpdb> 33 atoms in block 165 Block first atom: 7769 Blocpdb> 43 atoms in block 166 Block first atom: 7802 Blocpdb> 37 atoms in block 167 Block first atom: 7845 Blocpdb> 41 atoms in block 168 Block first atom: 7882 Blocpdb> 47 atoms in block 169 Block first atom: 7923 Blocpdb> 47 atoms in block 170 Block first atom: 7970 Blocpdb> 51 atoms in block 171 Block first atom: 8017 Blocpdb> 51 atoms in block 172 Block first atom: 8068 Blocpdb> 46 atoms in block 173 Block first atom: 8119 Blocpdb> 52 atoms in block 174 Block first atom: 8165 Blocpdb> 42 atoms in block 175 Block first atom: 8217 Blocpdb> 38 atoms in block 176 Block first atom: 8259 Blocpdb> 49 atoms in block 177 Block first atom: 8297 Blocpdb> 54 atoms in block 178 Block first atom: 8346 Blocpdb> 45 atoms in block 179 Block first atom: 8400 Blocpdb> 53 atoms in block 180 Block first atom: 8445 Blocpdb> 42 atoms in block 181 Block first atom: 8498 Blocpdb> 50 atoms in block 182 Block first atom: 8540 Blocpdb> 51 atoms in block 183 Block first atom: 8590 Blocpdb> 19 atoms in block 184 Block first atom: 8640 Blocpdb> 184 blocks. Blocpdb> At most, 61 atoms in each of them. Blocpdb> At least, 16 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> 2984058 matrix lines read. Prepmat> Matrix order = 25977 Prepmat> Matrix trace = 6516500.0000 Prepmat> Last element read: 25977 25977 104.4801 Prepmat> 17021 lines saved. Prepmat> 15630 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: 8659 RTB> Total mass = 8659.0000 RTB> Number of atoms found in matrix: 8659 RTB> Number of blocks = 184 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 170701.9795 RTB> 47280 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 = 1104 Diagstd> Nb of non-zero elements: 47280 Diagstd> Projected matrix trace = 170701.9795 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 1104 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 170701.9795 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 0.0824095 0.1045957 0.2262738 0.3937166 0.5034185 0.7551676 0.9544303 1.0631051 1.3717077 1.4824444 1.8300832 2.0018737 2.1130706 2.1692436 2.4374815 2.7085254 2.9649901 3.0650534 3.4962299 3.7474604 4.0295777 4.3297996 4.4630033 4.8432377 5.0958604 5.6088850 5.8178586 5.9896377 6.3744617 6.4431396 6.7274128 7.0159155 7.2216854 7.5409314 8.0624200 8.4200877 8.9195647 9.2346040 9.3894649 9.6312881 9.6893374 9.8760333 10.9070504 11.1742845 11.5267964 11.7627283 11.8909712 11.9633628 12.4109006 12.6251393 13.0340372 13.2756938 13.5747625 13.8977827 13.9243234 14.3558597 14.8740411 15.1906184 15.5327405 16.0790513 16.5735793 16.8465376 17.1452080 17.5452848 18.0500785 18.1580723 18.6295053 18.7663505 19.3496689 19.8146273 19.9409535 20.3777980 20.7082725 21.2106915 21.3097188 21.7112778 22.0722500 22.6691860 22.9998871 23.3372804 23.5418989 23.8530324 24.1730756 24.3344242 24.4532905 24.8621942 24.9911039 25.4746690 25.8244134 25.9734060 26.0318253 26.5700477 26.8403076 27.2367670 27.2836755 27.5867162 27.8896761 28.0319567 28.6696495 29.0697626 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034332 0.0034335 0.0034337 0.0034338 0.0034342 0.0034344 31.1733876 35.1198191 51.6550079 68.1376449 77.0477366 94.3663052 106.0882754 111.9652825 127.1821228 132.2161440 146.9030128 153.6432966 157.8527975 159.9371833 169.5375665 178.7153024 186.9850594 190.1140895 203.0463883 210.2150503 217.9842150 225.9587583 229.4081726 238.9808882 245.1342754 257.1778428 261.9249439 265.7636369 274.1681730 275.6411484 281.6562014 287.6321681 291.8196715 298.2000941 308.3386670 315.1037609 324.3150565 329.9927648 332.7481898 337.0058710 338.0199394 341.2609170 358.6319195 362.9987616 368.6800104 372.4339923 374.4587156 375.5968292 382.5576839 385.8454373 392.0439526 395.6615915 400.0934118 404.8256656 405.2120302 411.4431936 418.8029851 423.2363957 427.9759097 435.4371625 442.0826135 445.7081831 449.6417805 454.8576377 461.3545712 462.7326577 468.7010659 470.4193659 477.6744902 483.3795073 484.9179279 490.2006767 494.1595757 500.1182392 501.2843422 505.9853846 510.1743077 517.0270241 520.7845991 524.5904772 526.8852317 530.3555028 533.9016164 535.6804754 536.9872000 541.4582898 542.8601971 548.0870676 551.8366153 553.4262219 554.0482543 559.7465784 562.5861344 566.7258967 567.2137078 570.3550406 573.4783346 574.9392879 581.4420975 585.4853371 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 8659 Rtb_to_modes> Number of blocs = 184 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: 9.9955E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9975E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9987E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9992E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0001E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0002E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 8.2410E-02 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 0.1046 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 0.2263 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 0.3937 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 0.5034 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 0.7552 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 0.9544 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 1.063 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 1.372 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 1.482 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 1.830 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 2.002 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 2.113 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 2.169 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 2.437 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 2.709 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 2.965 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 3.065 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 3.496 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 3.747 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 4.030 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 4.330 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 4.463 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 4.843 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 5.096 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 5.609 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 5.818 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 5.990 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 6.374 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 6.443 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 6.727 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 7.016 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 7.222 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 7.541 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 8.062 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 8.420 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 8.920 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 9.235 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 9.389 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 9.631 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 9.689 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 9.876 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 10.91 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 11.17 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 11.53 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 11.76 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 11.89 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 11.96 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 12.41 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 12.63 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 13.03 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 13.28 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 13.57 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 13.90 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 13.92 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 14.36 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 14.87 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 15.19 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 15.53 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 16.08 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 16.57 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 16.85 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 17.15 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 17.55 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 18.05 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 18.16 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 18.63 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 18.77 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 19.35 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 19.81 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 19.94 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 20.38 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 20.71 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 21.21 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 21.31 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 21.71 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 22.07 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 22.67 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 23.00 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 23.34 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 23.54 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 23.85 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 24.17 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 24.33 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 24.45 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 24.86 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 24.99 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 25.47 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 25.82 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 25.97 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 26.03 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 26.57 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 26.84 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 27.24 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 27.28 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 27.59 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 27.89 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 28.03 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 28.67 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 29.07 Rtb_to_modes> 106 vectors, with 1104 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00000 1.00003 1.00000 0.99999 1.00000 1.00000 1.00000 0.99999 1.00000 0.99997 0.99999 1.00000 1.00002 0.99999 0.99999 0.99999 1.00000 0.99999 1.00000 0.99996 1.00002 1.00000 1.00001 1.00004 1.00001 0.99996 1.00000 0.99995 0.99998 0.99999 0.99999 1.00000 1.00000 0.99999 1.00000 1.00001 1.00000 1.00001 0.99999 1.00001 0.99999 1.00000 1.00000 0.99999 1.00001 1.00000 0.99999 1.00004 1.00001 0.99998 0.99998 0.99999 0.99998 1.00000 1.00001 1.00000 1.00001 1.00000 0.99999 1.00000 1.00000 1.00001 1.00000 0.99999 1.00003 1.00000 0.99999 0.99999 1.00001 0.99999 1.00002 1.00000 0.99999 1.00002 1.00001 1.00000 1.00001 1.00001 1.00001 0.99998 1.00003 0.99999 0.99998 0.99999 1.00000 1.00002 0.99997 0.99999 0.99998 1.00001 1.00000 1.00000 1.00000 0.99998 1.00002 0.99996 1.00001 0.99999 0.99998 1.00001 1.00003 1.00000 1.00001 0.99999 1.00001 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 155862 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00000 1.00003 1.00000 0.99999 1.00000 1.00000 1.00000 0.99999 1.00000 0.99997 0.99999 1.00000 1.00002 0.99999 0.99999 0.99999 1.00000 0.99999 1.00000 0.99996 1.00002 1.00000 1.00001 1.00004 1.00001 0.99996 1.00000 0.99995 0.99998 0.99999 0.99999 1.00000 1.00000 0.99999 1.00000 1.00001 1.00000 1.00001 0.99999 1.00001 0.99999 1.00000 1.00000 0.99999 1.00001 1.00000 0.99999 1.00004 1.00001 0.99998 0.99998 0.99999 0.99998 1.00000 1.00001 1.00000 1.00001 1.00000 0.99999 1.00000 1.00000 1.00001 1.00000 0.99999 1.00003 1.00000 0.99999 0.99999 1.00001 0.99999 1.00002 1.00000 0.99999 1.00002 1.00001 1.00000 1.00001 1.00001 1.00001 0.99998 1.00003 0.99999 0.99998 0.99999 1.00000 1.00002 0.99997 0.99999 0.99998 1.00001 1.00000 1.00000 1.00000 0.99998 1.00002 0.99996 1.00001 0.99999 0.99998 1.00001 1.00003 1.00000 1.00001 0.99999 1.00001 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> 240113201315970423.eigenfacs Openam> file on opening on unit 10: 240113201315970423.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 240113201315970423.atom Openam> file on opening on unit 11: 240113201315970423.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 = 1086 First residue number = 7 Last residue number = 241 Number of atoms found = 8659 Mean number per residue = 8.0 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9975E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9987E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 8.2410E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1046 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2263 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3937 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5034 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.7552 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9544 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 1.063 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 1.372 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 1.482 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 1.830 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 2.002 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 2.113 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 2.169 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 2.437 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 2.709 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 2.965 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 3.065 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 3.496 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 3.747 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 4.030 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 4.330 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 4.463 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 4.843 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 5.096 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 5.609 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 5.818 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 5.990 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 6.374 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 6.443 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 6.727 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 7.016 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 7.222 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 7.541 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 8.062 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 8.420 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 8.920 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 9.235 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 9.389 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 9.631 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 9.689 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 9.876 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 10.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 11.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 11.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 11.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 11.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 11.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 12.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 12.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 13.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 13.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 13.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 13.90 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 13.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 14.36 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 14.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 15.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 15.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 16.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 16.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 16.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 17.15 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 17.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 18.05 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 18.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 18.63 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 18.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 19.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 19.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 19.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 20.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 20.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 21.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 21.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 21.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 22.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 22.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 23.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 23.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 23.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 23.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 24.17 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 24.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 24.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 24.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 24.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 25.47 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 25.82 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 25.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 26.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 26.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 26.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 27.24 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 27.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 27.59 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 27.89 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 28.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 28.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 29.07 Bfactors> 106 vectors, 25977 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 : 0.082410 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= 0.500 for 1086 C-alpha atoms. Bfactors> = 0.081 +/- 0.08 Bfactors> = 21.946 +/- 22.57 Bfactors> Shiftng-fct= 21.865 Bfactors> Scaling-fct= 278.033 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes getting mode 7 running: ../../bin/get_modes.sh 240113201315970423 7 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-200 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=0 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=200 240113201315970423.eigenfacs 240113201315970423.atom making animated gifs 21 models are in 240113201315970423.7.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.7.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.7.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 240113201315970423 8 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-200 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=0 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=200 240113201315970423.eigenfacs 240113201315970423.atom making animated gifs 21 models are in 240113201315970423.8.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.8.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.8.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 240113201315970423 9 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-200 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=0 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=200 240113201315970423.eigenfacs 240113201315970423.atom making animated gifs 21 models are in 240113201315970423.9.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.9.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.9.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 240113201315970423 10 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-200 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=0 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=200 240113201315970423.eigenfacs 240113201315970423.atom making animated gifs 21 models are in 240113201315970423.10.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.10.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.10.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 240113201315970423 11 -200 200 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-200 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=-20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=0 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=20 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=40 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=60 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=80 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=100 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=120 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=140 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=160 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=180 240113201315970423.eigenfacs 240113201315970423.atom calculating perturbed structure for DQ=200 240113201315970423.eigenfacs 240113201315970423.atom making animated gifs 21 models are in 240113201315970423.11.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.11.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 21 models are in 240113201315970423.11.pdb, 3 models will be skipped MODEL 1 will be plotted MODEL 5 will be plotted MODEL 9 will be plotted MODEL 13 will be plotted MODEL 17 will be plotted MODEL 21 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 240113201315970423.10.pdb 240113201315970423.11.pdb 240113201315970423.7.pdb 240113201315970423.8.pdb 240113201315970423.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m42.597s user 0m42.416s sys 0m0.116s ../../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: 240113201315970423.Chkmod.res: No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format




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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.