CNRS Nantes University US2B US2B
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Should you encounter any unexpected behaviour,
please let us know.
elNémo has been hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.


***    ***

LOGs for ID: 260408115242648516

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 = 260408115242648516.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 260408115242648516.atom to be opened. Openam> File opened: 260408115242648516.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 = 1493 First residue number = 69 Last residue number = 1593 Number of atoms found = 22714 Mean number per residue = 15.2 Pdbmat> Coordinate statistics: = -0.000002 +/- 31.165768 From: -63.612000 To: 63.849000 = 0.000004 +/- 15.811871 From: -41.311000 To: 49.542000 = 0.000003 +/- 14.218391 From: -39.308000 To: 39.804000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> ........ %Pdbmat-W> 42 residue(s) not known. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 9.9773 % Filled. Pdbmat> 17382062 non-zero elements. Pdbmat> 1916517 atom-atom interactions. Pdbmat> Number per atom= 168.75 +/- 43.49 Maximum number = 249 Minimum number = 26 Pdbmat> Matrix trace = 3.833034E+07 Pdbmat> Larger element = 926.770 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1493 non-zero elements, NRBL set to 8 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 = 260408115242648516.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 8 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 260408115242648516.atom to be opened. Openam> file on opening on unit 11: 260408115242648516.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 22714 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 8 residue(s) per block. Blocpdb> 1493 residues. Blocpdb> 119 atoms in block 1 Block first atom: 1 Blocpdb> 113 atoms in block 2 Block first atom: 120 Blocpdb> 130 atoms in block 3 Block first atom: 233 Blocpdb> 131 atoms in block 4 Block first atom: 363 Blocpdb> 116 atoms in block 5 Block first atom: 494 Blocpdb> 127 atoms in block 6 Block first atom: 610 Blocpdb> 110 atoms in block 7 Block first atom: 737 Blocpdb> 116 atoms in block 8 Block first atom: 847 Blocpdb> 127 atoms in block 9 Block first atom: 963 Blocpdb> 134 atoms in block 10 Block first atom: 1090 Blocpdb> 123 atoms in block 11 Block first atom: 1224 Blocpdb> 127 atoms in block 12 Block first atom: 1347 Blocpdb> 117 atoms in block 13 Block first atom: 1474 Blocpdb> 130 atoms in block 14 Block first atom: 1591 Blocpdb> 114 atoms in block 15 Block first atom: 1721 Blocpdb> 128 atoms in block 16 Block first atom: 1835 Blocpdb> 119 atoms in block 17 Block first atom: 1963 Blocpdb> 109 atoms in block 18 Block first atom: 2082 Blocpdb> 118 atoms in block 19 Block first atom: 2191 Blocpdb> 133 atoms in block 20 Block first atom: 2309 Blocpdb> 116 atoms in block 21 Block first atom: 2442 Blocpdb> 116 atoms in block 22 Block first atom: 2558 Blocpdb> 114 atoms in block 23 Block first atom: 2674 Blocpdb> 87 atoms in block 24 Block first atom: 2788 Blocpdb> 108 atoms in block 25 Block first atom: 2875 Blocpdb> 108 atoms in block 26 Block first atom: 2983 Blocpdb> 124 atoms in block 27 Block first atom: 3091 Blocpdb> 140 atoms in block 28 Block first atom: 3215 Blocpdb> 110 atoms in block 29 Block first atom: 3355 Blocpdb> 121 atoms in block 30 Block first atom: 3465 Blocpdb> 139 atoms in block 31 Block first atom: 3586 Blocpdb> 97 atoms in block 32 Block first atom: 3725 Blocpdb> 130 atoms in block 33 Block first atom: 3822 Blocpdb> 137 atoms in block 34 Block first atom: 3952 Blocpdb> 135 atoms in block 35 Block first atom: 4089 Blocpdb> 140 atoms in block 36 Block first atom: 4224 Blocpdb> 115 atoms in block 37 Block first atom: 4364 Blocpdb> 127 atoms in block 38 Block first atom: 4479 Blocpdb> 127 atoms in block 39 Block first atom: 4606 Blocpdb> 108 atoms in block 40 Block first atom: 4733 Blocpdb> 122 atoms in block 41 Block first atom: 4841 Blocpdb> 119 atoms in block 42 Block first atom: 4963 Blocpdb> 105 atoms in block 43 Block first atom: 5082 Blocpdb> 144 atoms in block 44 Block first atom: 5187 Blocpdb> 119 atoms in block 45 Block first atom: 5331 Blocpdb> 124 atoms in block 46 Block first atom: 5450 Blocpdb> 104 atoms in block 47 Block first atom: 5574 Blocpdb> 100 atoms in block 48 Block first atom: 5678 Blocpdb> 105 atoms in block 49 Block first atom: 5778 Blocpdb> 123 atoms in block 50 Block first atom: 5883 Blocpdb> 108 atoms in block 51 Block first atom: 6006 Blocpdb> 120 atoms in block 52 Block first atom: 6114 Blocpdb> 132 atoms in block 53 Block first atom: 6234 Blocpdb> 132 atoms in block 54 Block first atom: 6366 Blocpdb> 150 atoms in block 55 Block first atom: 6498 Blocpdb> 145 atoms in block 56 Block first atom: 6648 Blocpdb> 106 atoms in block 57 Block first atom: 6793 Blocpdb> 125 atoms in block 58 Block first atom: 6899 Blocpdb> 120 atoms in block 59 Block first atom: 7024 Blocpdb> 121 atoms in block 60 Block first atom: 7144 Blocpdb> 144 atoms in block 61 Block first atom: 7265 Blocpdb> 130 atoms in block 62 Block first atom: 7409 Blocpdb> 96 atoms in block 63 Block first atom: 7539 Blocpdb> 137 atoms in block 64 Block first atom: 7635 Blocpdb> 128 atoms in block 65 Block first atom: 7772 Blocpdb> 129 atoms in block 66 Block first atom: 7900 Blocpdb> 111 atoms in block 67 Block first atom: 8029 Blocpdb> 127 atoms in block 68 Block first atom: 8140 Blocpdb> 112 atoms in block 69 Block first atom: 8267 Blocpdb> 116 atoms in block 70 Block first atom: 8379 Blocpdb> 128 atoms in block 71 Block first atom: 8495 Blocpdb> 95 atoms in block 72 Block first atom: 8623 Blocpdb> 132 atoms in block 73 Block first atom: 8718 Blocpdb> 126 atoms in block 74 Block first atom: 8850 Blocpdb> 135 atoms in block 75 Block first atom: 8976 Blocpdb> 119 atoms in block 76 Block first atom: 9111 Blocpdb> 140 atoms in block 77 Block first atom: 9230 Blocpdb> 121 atoms in block 78 Block first atom: 9370 Blocpdb> 111 atoms in block 79 Block first atom: 9491 Blocpdb> 109 atoms in block 80 Block first atom: 9602 Blocpdb> 121 atoms in block 81 Block first atom: 9711 Blocpdb> 133 atoms in block 82 Block first atom: 9832 Blocpdb> 123 atoms in block 83 Block first atom: 9965 Blocpdb> 124 atoms in block 84 Block first atom: 10088 Blocpdb> 108 atoms in block 85 Block first atom: 10212 Blocpdb> 119 atoms in block 86 Block first atom: 10320 Blocpdb> 133 atoms in block 87 Block first atom: 10439 Blocpdb> 107 atoms in block 88 Block first atom: 10572 Blocpdb> 147 atoms in block 89 Block first atom: 10679 Blocpdb> 139 atoms in block 90 Block first atom: 10826 Blocpdb> 109 atoms in block 91 Block first atom: 10965 Blocpdb> 124 atoms in block 92 Block first atom: 11074 Blocpdb> 122 atoms in block 93 Block first atom: 11198 Blocpdb> 143 atoms in block 94 Block first atom: 11320 Blocpdb> 113 atoms in block 95 Block first atom: 11463 Blocpdb> 112 atoms in block 96 Block first atom: 11576 Blocpdb> 125 atoms in block 97 Block first atom: 11688 Blocpdb> 124 atoms in block 98 Block first atom: 11813 Blocpdb> 109 atoms in block 99 Block first atom: 11937 Blocpdb> 118 atoms in block 100 Block first atom: 12046 Blocpdb> 124 atoms in block 101 Block first atom: 12164 Blocpdb> 124 atoms in block 102 Block first atom: 12288 Blocpdb> 131 atoms in block 103 Block first atom: 12412 Blocpdb> 111 atoms in block 104 Block first atom: 12543 Blocpdb> 127 atoms in block 105 Block first atom: 12654 Blocpdb> 135 atoms in block 106 Block first atom: 12781 Blocpdb> 131 atoms in block 107 Block first atom: 12916 Blocpdb> 130 atoms in block 108 Block first atom: 13047 Blocpdb> 132 atoms in block 109 Block first atom: 13177 Blocpdb> 125 atoms in block 110 Block first atom: 13309 Blocpdb> 109 atoms in block 111 Block first atom: 13434 Blocpdb> 116 atoms in block 112 Block first atom: 13543 Blocpdb> 138 atoms in block 113 Block first atom: 13659 Blocpdb> 121 atoms in block 114 Block first atom: 13797 Blocpdb> 96 atoms in block 115 Block first atom: 13918 Blocpdb> 16 atoms in block 116 Block first atom: 14014 Blocpdb> 103 atoms in block 117 Block first atom: 14030 Blocpdb> 127 atoms in block 118 Block first atom: 14133 Blocpdb> 121 atoms in block 119 Block first atom: 14260 Blocpdb> 126 atoms in block 120 Block first atom: 14381 Blocpdb> 129 atoms in block 121 Block first atom: 14507 Blocpdb> 138 atoms in block 122 Block first atom: 14636 Blocpdb> 144 atoms in block 123 Block first atom: 14774 Blocpdb> 126 atoms in block 124 Block first atom: 14918 Blocpdb> 115 atoms in block 125 Block first atom: 15044 Blocpdb> 113 atoms in block 126 Block first atom: 15159 Blocpdb> 120 atoms in block 127 Block first atom: 15272 Blocpdb> 124 atoms in block 128 Block first atom: 15392 Blocpdb> 113 atoms in block 129 Block first atom: 15516 Blocpdb> 149 atoms in block 130 Block first atom: 15629 Blocpdb> 105 atoms in block 131 Block first atom: 15778 Blocpdb> 117 atoms in block 132 Block first atom: 15883 Blocpdb> 129 atoms in block 133 Block first atom: 16000 Blocpdb> 128 atoms in block 134 Block first atom: 16129 Blocpdb> 107 atoms in block 135 Block first atom: 16257 Blocpdb> 105 atoms in block 136 Block first atom: 16364 Blocpdb> 135 atoms in block 137 Block first atom: 16469 Blocpdb> 112 atoms in block 138 Block first atom: 16604 Blocpdb> 114 atoms in block 139 Block first atom: 16716 Blocpdb> 120 atoms in block 140 Block first atom: 16830 Blocpdb> 107 atoms in block 141 Block first atom: 16950 Blocpdb> 133 atoms in block 142 Block first atom: 17057 Blocpdb> 123 atoms in block 143 Block first atom: 17190 Blocpdb> 114 atoms in block 144 Block first atom: 17313 Blocpdb> 101 atoms in block 145 Block first atom: 17427 Blocpdb> 140 atoms in block 146 Block first atom: 17528 Blocpdb> 121 atoms in block 147 Block first atom: 17668 Blocpdb> 110 atoms in block 148 Block first atom: 17789 Blocpdb> 111 atoms in block 149 Block first atom: 17899 Blocpdb> 130 atoms in block 150 Block first atom: 18010 Blocpdb> 138 atoms in block 151 Block first atom: 18140 Blocpdb> 110 atoms in block 152 Block first atom: 18278 Blocpdb> 142 atoms in block 153 Block first atom: 18388 Blocpdb> 131 atoms in block 154 Block first atom: 18530 Blocpdb> 138 atoms in block 155 Block first atom: 18661 Blocpdb> 119 atoms in block 156 Block first atom: 18799 Blocpdb> 118 atoms in block 157 Block first atom: 18918 Blocpdb> 110 atoms in block 158 Block first atom: 19036 Blocpdb> 127 atoms in block 159 Block first atom: 19146 Blocpdb> 141 atoms in block 160 Block first atom: 19273 Blocpdb> 127 atoms in block 161 Block first atom: 19414 Blocpdb> 138 atoms in block 162 Block first atom: 19541 Blocpdb> 141 atoms in block 163 Block first atom: 19679 Blocpdb> 130 atoms in block 164 Block first atom: 19820 Blocpdb> 144 atoms in block 165 Block first atom: 19950 Blocpdb> 122 atoms in block 166 Block first atom: 20094 Blocpdb> 128 atoms in block 167 Block first atom: 20216 Blocpdb> 117 atoms in block 168 Block first atom: 20344 Blocpdb> 120 atoms in block 169 Block first atom: 20461 Blocpdb> 111 atoms in block 170 Block first atom: 20581 Blocpdb> 98 atoms in block 171 Block first atom: 20692 Blocpdb> 96 atoms in block 172 Block first atom: 20790 Blocpdb> 111 atoms in block 173 Block first atom: 20886 Blocpdb> 117 atoms in block 174 Block first atom: 20997 Blocpdb> 134 atoms in block 175 Block first atom: 21114 Blocpdb> 108 atoms in block 176 Block first atom: 21248 Blocpdb> 111 atoms in block 177 Block first atom: 21356 Blocpdb> 131 atoms in block 178 Block first atom: 21467 Blocpdb> 108 atoms in block 179 Block first atom: 21598 Blocpdb> 106 atoms in block 180 Block first atom: 21706 Blocpdb> 141 atoms in block 181 Block first atom: 21812 Blocpdb> 118 atoms in block 182 Block first atom: 21953 Blocpdb> 115 atoms in block 183 Block first atom: 22071 Blocpdb> 113 atoms in block 184 Block first atom: 22186 Blocpdb> 99 atoms in block 185 Block first atom: 22299 Blocpdb> 137 atoms in block 186 Block first atom: 22398 Blocpdb> 128 atoms in block 187 Block first atom: 22535 Blocpdb> 52 atoms in block 188 Block first atom: 22662 Blocpdb> 188 blocks. Blocpdb> At most, 150 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> 17382250 matrix lines read. Prepmat> Matrix order = 68142 Prepmat> Matrix trace = 38330340.0001 Prepmat> Last element read: 68142 68142 105.3418 Prepmat> 17767 lines saved. Prepmat> 15906 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: 22714 RTB> Total mass = 22714.0000 RTB> Number of atoms found in matrix: 22714 RTB> Number of blocks = 188 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 418328.4846 RTB> 64140 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 = 1128 Diagstd> Nb of non-zero elements: 64140 Diagstd> Projected matrix trace = 418328.4846 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 1128 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 418328.4846 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 0.6045640 0.9807218 1.5895714 3.7592421 4.2632324 4.6028244 5.1253482 6.0663835 7.1719898 8.1747888 8.6925623 10.7825760 11.6451366 12.1994114 14.3094229 14.9667296 15.7889205 17.9232254 18.5530662 19.4808276 19.8332877 20.3476059 22.6427227 23.3374560 23.7446924 24.4360116 25.1981381 26.1848138 28.3024798 28.5786213 29.5992158 30.3646716 31.0063763 31.6026827 32.6528458 32.9326594 33.7470123 34.7713799 35.6185344 36.1819724 37.3415805 38.8523268 40.0904321 42.4811677 42.5264069 42.7481657 44.9637378 45.3257230 46.7450100 47.4474348 48.7285163 49.1047014 51.5254981 53.5144836 53.5994927 54.2488963 55.2590485 56.6912166 57.2766067 58.0415982 58.9270300 60.3084258 61.1787439 62.5067423 63.0001833 63.2159394 63.7663405 64.9311701 66.2335780 66.5151860 67.9219392 68.4006552 69.8984085 71.3812373 72.7854053 73.6854266 74.0861604 74.9974610 75.7252775 76.6804310 77.3399625 78.2029208 79.4751164 80.4503411 80.6925509 82.9980161 83.7442880 85.1853773 85.6127760 87.3100104 88.2047174 89.2128461 90.0744519 91.0062934 91.9244856 92.1328023 93.5806704 94.2194695 94.8096473 96.5531199 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034321 0.0034328 0.0034333 0.0034352 0.0034356 0.0034359 84.4338179 107.5395465 136.9100417 210.5452416 224.2150622 232.9740142 245.8425030 267.4608440 290.8138678 310.4799430 320.1615594 356.5796412 370.5677107 379.2841716 410.7772086 420.1058575 431.4907594 459.7305496 467.7385097 479.2906778 483.6070646 489.8373977 516.7251545 524.5924507 529.1497004 536.7974473 545.1041727 555.6739340 577.7068602 580.5183027 590.7930568 598.3834520 604.6732929 610.4600607 620.5200215 623.1730759 630.8308811 640.3335294 648.0869899 653.1928158 663.5774640 676.8677106 687.5679884 707.7722047 708.1489659 709.9929271 728.1594389 731.0846250 742.4426441 748.0000879 758.0308391 760.9512199 779.4825186 794.3848444 795.0155435 799.8171894 807.2294196 817.6231297 821.8336518 827.3036901 833.5901161 843.3042257 849.3673414 858.5363998 861.9184693 863.3931094 867.1436081 875.0278883 883.7600966 885.6368637 894.9531860 898.1014779 907.8809933 917.4603746 926.4402874 932.1505957 934.6818814 940.4128628 944.9649866 950.9059236 954.9865583 960.2996428 968.0791502 974.0006018 975.4656992 989.3025674 993.7402429 1002.2540178 1004.7651655 1014.6757948 1019.8614748 1025.6731284 1030.6141342 1035.9313912 1041.1442007 1042.3232388 1050.4813740 1054.0606667 1057.3567588 1067.0344375 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 22714 Rtb_to_modes> Number of blocs = 188 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: 9.9894E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9934E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9963E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 1.0007E-09 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0009E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0011E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 0.6046 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 0.9807 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 1.590 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 3.759 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 4.263 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 4.603 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 5.125 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 6.066 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 7.172 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 8.175 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 8.693 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 10.78 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 11.65 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 12.20 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 14.31 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 14.97 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 15.79 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 17.92 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 18.55 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 19.48 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 19.83 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 20.35 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 22.64 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 23.34 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 23.74 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 24.44 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 25.20 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 26.18 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 28.30 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 28.58 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 29.60 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 30.36 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 31.01 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 31.60 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 32.65 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 32.93 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 33.75 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 34.77 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 35.62 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 36.18 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 37.34 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 38.85 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 40.09 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 42.48 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 42.53 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 42.75 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 44.96 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 45.33 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 46.75 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 47.45 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 48.73 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 49.10 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 51.53 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 53.51 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 53.60 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 54.25 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 55.26 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 56.69 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 57.28 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 58.04 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 58.93 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 60.31 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 61.18 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 62.51 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 63.00 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 63.22 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 63.77 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 64.93 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 66.23 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 66.52 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 67.92 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 68.40 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 69.90 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 71.38 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 72.79 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 73.69 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 74.09 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 75.00 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 75.73 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 76.68 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 77.34 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 78.20 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 79.48 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 80.45 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 80.69 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 83.00 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 83.74 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 85.19 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 85.61 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 87.31 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 88.20 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 89.21 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 90.07 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 91.01 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 91.92 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 92.13 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 93.58 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 94.22 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 94.81 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 96.55 Rtb_to_modes> 106 vectors, with 1128 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00000 0.99999 1.00003 1.00000 1.00000 1.00001 0.99999 0.99999 1.00002 1.00000 0.99997 0.99998 1.00000 0.99999 1.00001 1.00001 1.00000 1.00004 0.99998 0.99998 0.99998 1.00000 1.00002 1.00000 1.00000 0.99997 1.00000 0.99999 0.99999 0.99998 1.00003 0.99998 1.00000 1.00001 1.00002 1.00000 1.00000 1.00000 1.00000 0.99999 1.00002 0.99999 1.00001 1.00001 0.99999 1.00001 1.00001 1.00003 1.00000 0.99999 0.99998 1.00000 1.00003 1.00000 1.00001 0.99998 1.00000 1.00000 1.00000 0.99999 0.99999 0.99999 1.00000 1.00001 0.99999 0.99999 1.00002 0.99999 1.00002 1.00001 1.00002 1.00002 1.00002 1.00000 1.00001 1.00001 1.00001 0.99998 1.00000 1.00000 1.00000 0.99999 1.00001 0.99999 1.00002 1.00000 0.99999 1.00002 1.00000 1.00000 1.00001 0.99998 1.00000 1.00001 1.00000 1.00001 1.00000 1.00000 1.00000 1.00000 1.00001 0.99998 0.99998 1.00000 1.00000 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 408852 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00000 0.99999 1.00003 1.00000 1.00000 1.00001 0.99999 0.99999 1.00002 1.00000 0.99997 0.99998 1.00000 0.99999 1.00001 1.00001 1.00000 1.00004 0.99998 0.99998 0.99998 1.00000 1.00002 1.00000 1.00000 0.99997 1.00000 0.99999 0.99999 0.99998 1.00003 0.99998 1.00000 1.00001 1.00002 1.00000 1.00000 1.00000 1.00000 0.99999 1.00002 0.99999 1.00001 1.00001 0.99999 1.00001 1.00001 1.00003 1.00000 0.99999 0.99998 1.00000 1.00003 1.00000 1.00001 0.99998 1.00000 1.00000 1.00000 0.99999 0.99999 0.99999 1.00000 1.00001 0.99999 0.99999 1.00002 0.99999 1.00002 1.00001 1.00002 1.00002 1.00002 1.00000 1.00001 1.00001 1.00001 0.99998 1.00000 1.00000 1.00000 0.99999 1.00001 0.99999 1.00002 1.00000 0.99999 1.00002 1.00000 1.00000 1.00001 0.99998 1.00000 1.00001 1.00000 1.00001 1.00000 1.00000 1.00000 1.00000 1.00001 0.99998 0.99998 1.00000 1.00000 Orthogonality of first eigenvectors (zero expected): Vector 2: 0.000 Vector 3: 0.000-0.000 Vector 4: 0.000 0.000-0.000 Vector 5: 0.000 0.000-0.000-0.000 Vector 6: 0.000-0.000-0.000 0.000-0.000 Vector 7: 0.000 0.000 0.000 0.000 0.000 0.000 Vector 8: 0.000-0.000 0.000 0.000 0.000-0.000 0.000 Vector 9:-0.000 0.000 0.000 0.000-0.000-0.000-0.000 0.000 Vector 10: 0.000 0.000-0.000 0.000-0.000-0.000 0.000-0.000 0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 260408115242648516.eigenfacs Openam> file on opening on unit 10: 260408115242648516.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 260408115242648516.atom Openam> file on opening on unit 11: 260408115242648516.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 = 1493 First residue number = 69 Last residue number = 1593 Number of atoms found = 22714 Mean number per residue = 15.2 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9894E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6046 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9807 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 1.590 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 3.759 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 4.263 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 4.603 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 5.125 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 6.066 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 7.172 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 8.175 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 8.693 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 10.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 11.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 12.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 14.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 14.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 15.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 17.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 18.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 19.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 19.83 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 20.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 22.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 23.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 23.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 24.44 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 25.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 26.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 28.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 28.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 29.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 30.36 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 31.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 31.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 32.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 32.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 33.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 34.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 35.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 36.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 37.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 38.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 40.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 42.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 42.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 42.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 44.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 45.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 46.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 47.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 48.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 49.10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 51.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 53.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 53.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 54.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 55.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 56.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 57.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 58.04 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 58.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 60.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 61.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 62.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 63.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 63.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 63.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 64.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 66.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 66.52 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 67.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 68.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 69.90 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 71.38 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 72.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 73.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 74.09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 75.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 75.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 76.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 77.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 78.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 79.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 80.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 80.69 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 83.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 83.74 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 85.19 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 85.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 87.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 88.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 89.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 90.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 91.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 91.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 92.13 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 93.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 94.22 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 94.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 96.55 Bfactors> 106 vectors, 68142 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 : 0.604600 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= -0.101 for 1493 C-alpha atoms. Bfactors> = 0.005 +/- 0.01 Bfactors> = 0.001 +/- 0.01 Bfactors> Shiftng-fct= -0.004 Bfactors> Scaling-fct= 0.928 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 260408115242648516.eigenfacs Openam> file on opening on unit 10: 260408115242648516.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4320E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4327E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4350E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4354E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4357E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 84.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 107.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 136.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 210.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 224.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 233.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 245.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 267.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 290.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 310.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 320.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 356.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 370.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 379.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 410.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 420.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 431.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 459.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 467.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 479.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 483.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 489.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 516.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 524.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 529.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 536.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 545.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 555.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 577.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 580.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 590.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 598.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 604.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 610.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 620.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 623.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 630.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 640.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 648.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 653.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 663.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 676.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 687.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 707.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 708.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 710.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 728.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 731.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 742.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 748.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 758.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 760.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 779.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 794.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 795.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 799.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 807.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 817.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 821.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 827.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 833.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 843.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 849.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 858.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 861.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 863.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 867.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 875.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 883.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 885.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 894.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 898.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 907.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 917.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 926.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 932.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 934.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 940.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 945.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 950.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 954.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 960.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 968.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 974.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 975.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 989.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 993.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 1002. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 1005. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 1015. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 1020. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 1026. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 1031. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 1036. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 1041. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 1042. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 1050. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 1054. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 1057. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 1067. Chkmod> 106 vectors, 68142 coordinates in file. Chkmod> That is: 22714 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. Chkmod> Normal end. 0.0034 0.8995 0.0034 0.9427 0.0034 0.7582 0.0034 0.6599 0.0034 0.8916 0.0034 0.9170 84.4327 0.6995 107.5337 0.6575 136.9226 0.7665 210.5294 0.1929 224.1993 0.2695 232.9685 0.2824 245.8236 0.5203 267.4409 0.2787 290.8016 0.1727 310.4706 0.2143 320.1559 0.4544 356.5217 0.3671 370.6292 0.4484 379.2770 0.3417 410.7679 0.3322 420.1337 0.4248 431.4870 0.4984 459.6694 0.2152 467.6798 0.3244 479.2599 0.3306 483.5462 0.4093 489.8452 0.3618 516.6719 0.3973 524.5985 0.6635 529.0747 0.5829 536.8182 0.4174 545.1009 0.4216 555.5990 0.3785 577.6568 0.3083 580.5074 0.1957 590.7755 0.6185 598.3117 0.4811 604.6827 0.6649 610.4079 0.3720 620.4663 0.5249 623.1212 0.3263 630.8317 0.3305 640.2933 0.5240 648.0725 0.5018 653.1470 0.4591 663.5349 0.4911 676.8184 0.2573 687.5348 0.3952 707.7321 0.3577 708.1485 0.4470 709.9777 0.5624 728.0979 0.4374 731.0877 0.4431 742.4504 0.4503 747.9882 0.1855 758.0098 0.4255 760.8821 0.3603 779.4831 0.2481 794.3175 0.4870 794.9852 0.5336 799.7910 0.3459 807.2017 0.4429 817.5793 0.4947 821.8227 0.4432 827.2568 0.4394 833.5753 0.4700 843.2790 0.3237 849.3396 0.4108 858.5219 0.3622 861.8802 0.5477 863.3838 0.2309 867.1313 0.4779 874.9824 0.4258 883.6983 0.5671 885.6309 0.4581 894.9020 0.5641 898.0586 0.4701 907.8524 0.4078 917.4130 0.4985 926.4298 0.2915 932.1395 0.4465 934.6660 0.5454 940.3884 0.4743 944.9539 0.3238 950.8624 0.3501 954.9458 0.4637 960.2405 0.5219 968.0673 0.4382 973.9567 0.4576 975.4084 0.5118 989.2719 0.3993 993.6721 0.4009 1002.2382 0.3938 1004.7057 0.4217 1014.6322 0.4263 1019.7904 0.4488 1025.6127 0.5547 1030.5444 0.3080 1035.9080 0.4140 1041.0741 0.3554 1042.2626 0.4697 1050.4325 0.5081 1054.0184 0.4773 1057.3133 0.3827 1066.9714 0.3690 getting mode 7 running: ../../bin/get_modes.sh 260408115242648516 7 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.7.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.7.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.7.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 260408115242648516 8 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.8.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.8.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.8.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 260408115242648516 9 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.9.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.9.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.9.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 260408115242648516 10 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.10.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.10.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.10.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 260408115242648516 11 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.11.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.11.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.11.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 260408115242648516 12 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.12.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.12.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.12.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 260408115242648516 13 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.13.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.13.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.13.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 260408115242648516 14 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.14.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.14.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.14.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 260408115242648516 15 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.15.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.15.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.15.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 260408115242648516 16 -250 250 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-250 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=-10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=10 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=30 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=50 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=70 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=90 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=110 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=130 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=150 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=170 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=190 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=210 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=230 260408115242648516.eigenfacs 260408115242648516.atom calculating perturbed structure for DQ=250 260408115242648516.eigenfacs 260408115242648516.atom making animated gifs 26 models are in 260408115242648516.16.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.16.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 26 models are in 260408115242648516.16.pdb, 4 models will be skipped MODEL 1 will be plotted MODEL 6 will be plotted MODEL 11 will be plotted MODEL 16 will be plotted MODEL 21 will be plotted MODEL 26 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 260408115242648516.10.pdb 260408115242648516.11.pdb 260408115242648516.12.pdb 260408115242648516.13.pdb 260408115242648516.14.pdb 260408115242648516.15.pdb 260408115242648516.16.pdb 260408115242648516.7.pdb 260408115242648516.8.pdb 260408115242648516.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 4m23.355s user 4m22.037s sys 0m1.210s rm: cannot remove '260408115242648516.sdijf': 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 pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw 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Last modification: december 26th, 2025.