CNRS Nantes University US2B US2B
home |  start a new run |  job status |  references&downloads |  examples |  help  

Should you encounter any unexpected behaviour,
please let us know.
elNémo has been relocated.
**Some cleaning from time to time**
Sorry for the inconvenience.


***  sec_SIWIS  ***

LOGs for ID: 2607191900252545021

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 = 2607191900252545021.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 2607191900252545021.atom to be opened. Openam> File opened: 2607191900252545021.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 = 548 First residue number = 5 Last residue number = 80 Number of atoms found = 8644 Mean number per residue = 15.8 Pdbmat> Coordinate statistics: = 22.352960 +/- 11.038075 From: -3.786000 To: 48.849000 = 13.436304 +/- 15.225441 From: -24.369000 To: 47.588000 = 44.872238 +/- 16.941454 From: 11.332000 To: 96.465000 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> 3 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 1.8409 % Filled. Pdbmat> 6189885 non-zero elements. Pdbmat> 682119 atom-atom interactions. Pdbmat> Number per atom= 157.82 +/- 47.82 Maximum number = 251 Minimum number = 18 Pdbmat> Matrix trace = 1.364238E+07 Pdbmat> Larger element = 896.347 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 548 non-zero elements, NRBL set to 3 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 = 2607191900252545021.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 3 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 2607191900252545021.atom to be opened. Openam> file on opening on unit 11: 2607191900252545021.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 8644 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 3 residue(s) per block. Blocpdb> 548 residues. Blocpdb> 43 atoms in block 1 Block first atom: 1 Blocpdb> 31 atoms in block 2 Block first atom: 44 Blocpdb> 63 atoms in block 3 Block first atom: 75 Blocpdb> 51 atoms in block 4 Block first atom: 138 Blocpdb> 53 atoms in block 5 Block first atom: 189 Blocpdb> 48 atoms in block 6 Block first atom: 242 Blocpdb> 56 atoms in block 7 Block first atom: 290 Blocpdb> 50 atoms in block 8 Block first atom: 346 Blocpdb> 54 atoms in block 9 Block first atom: 396 Blocpdb> 47 atoms in block 10 Block first atom: 450 Blocpdb> 37 atoms in block 11 Block first atom: 497 Blocpdb> 41 atoms in block 12 Block first atom: 534 Blocpdb> 43 atoms in block 13 Block first atom: 575 Blocpdb> 49 atoms in block 14 Block first atom: 618 Blocpdb> 38 atoms in block 15 Block first atom: 667 Blocpdb> 37 atoms in block 16 Block first atom: 705 Blocpdb> 45 atoms in block 17 Block first atom: 742 Blocpdb> 50 atoms in block 18 Block first atom: 787 Blocpdb> 38 atoms in block 19 Block first atom: 837 Blocpdb> 36 atoms in block 20 Block first atom: 875 Blocpdb> 48 atoms in block 21 Block first atom: 911 Blocpdb> 53 atoms in block 22 Block first atom: 959 Blocpdb> 43 atoms in block 23 Block first atom: 1012 Blocpdb> 47 atoms in block 24 Block first atom: 1055 Blocpdb> 56 atoms in block 25 Block first atom: 1102 Blocpdb> 41 atoms in block 26 Block first atom: 1158 Blocpdb> 52 atoms in block 27 Block first atom: 1199 Blocpdb> 49 atoms in block 28 Block first atom: 1251 Blocpdb> 45 atoms in block 29 Block first atom: 1300 Blocpdb> 47 atoms in block 30 Block first atom: 1345 Blocpdb> 46 atoms in block 31 Block first atom: 1392 Blocpdb> 53 atoms in block 32 Block first atom: 1438 Blocpdb> 41 atoms in block 33 Block first atom: 1491 Blocpdb> 48 atoms in block 34 Block first atom: 1532 Blocpdb> 50 atoms in block 35 Block first atom: 1580 Blocpdb> 49 atoms in block 36 Block first atom: 1630 Blocpdb> 64 atoms in block 37 Block first atom: 1679 Blocpdb> 37 atoms in block 38 Block first atom: 1743 Blocpdb> 50 atoms in block 39 Block first atom: 1780 Blocpdb> 34 atoms in block 40 Block first atom: 1830 Blocpdb> 54 atoms in block 41 Block first atom: 1864 Blocpdb> 45 atoms in block 42 Block first atom: 1918 Blocpdb> 58 atoms in block 43 Block first atom: 1963 Blocpdb> 42 atoms in block 44 Block first atom: 2021 Blocpdb> 43 atoms in block 45 Block first atom: 2063 Blocpdb> 49 atoms in block 46 Block first atom: 2106 Blocpdb> 47 atoms in block 47 Block first atom: 2155 Blocpdb> 43 atoms in block 48 Block first atom: 2202 Blocpdb> 60 atoms in block 49 Block first atom: 2245 Blocpdb> 42 atoms in block 50 Block first atom: 2305 Blocpdb> 41 atoms in block 51 Block first atom: 2347 Blocpdb> 36 atoms in block 52 Block first atom: 2388 Blocpdb> 51 atoms in block 53 Block first atom: 2424 Blocpdb> 62 atoms in block 54 Block first atom: 2475 Blocpdb> 41 atoms in block 55 Block first atom: 2537 Blocpdb> 57 atoms in block 56 Block first atom: 2578 Blocpdb> 39 atoms in block 57 Block first atom: 2635 Blocpdb> 40 atoms in block 58 Block first atom: 2674 Blocpdb> 37 atoms in block 59 Block first atom: 2714 Blocpdb> 57 atoms in block 60 Block first atom: 2751 Blocpdb> 43 atoms in block 61 Block first atom: 2808 Blocpdb> 49 atoms in block 62 Block first atom: 2851 Blocpdb> 48 atoms in block 63 Block first atom: 2900 Blocpdb> 41 atoms in block 64 Block first atom: 2948 Blocpdb> 38 atoms in block 65 Block first atom: 2989 Blocpdb> 58 atoms in block 66 Block first atom: 3027 Blocpdb> 43 atoms in block 67 Block first atom: 3085 Blocpdb> 38 atoms in block 68 Block first atom: 3128 Blocpdb> 37 atoms in block 69 Block first atom: 3166 Blocpdb> 51 atoms in block 70 Block first atom: 3203 Blocpdb> 47 atoms in block 71 Block first atom: 3254 Blocpdb> 49 atoms in block 72 Block first atom: 3301 Blocpdb> 49 atoms in block 73 Block first atom: 3350 Blocpdb> 58 atoms in block 74 Block first atom: 3399 Blocpdb> 58 atoms in block 75 Block first atom: 3457 Blocpdb> 59 atoms in block 76 Block first atom: 3515 Blocpdb> 56 atoms in block 77 Block first atom: 3574 Blocpdb> 58 atoms in block 78 Block first atom: 3630 Blocpdb> 54 atoms in block 79 Block first atom: 3688 Blocpdb> 60 atoms in block 80 Block first atom: 3742 Blocpdb> 38 atoms in block 81 Block first atom: 3802 Blocpdb> 51 atoms in block 82 Block first atom: 3840 Blocpdb> 46 atoms in block 83 Block first atom: 3891 Blocpdb> 34 atoms in block 84 Block first atom: 3937 Blocpdb> 54 atoms in block 85 Block first atom: 3971 Blocpdb> 60 atoms in block 86 Block first atom: 4025 Blocpdb> 38 atoms in block 87 Block first atom: 4085 Blocpdb> 42 atoms in block 88 Block first atom: 4123 Blocpdb> 47 atoms in block 89 Block first atom: 4165 Blocpdb> 44 atoms in block 90 Block first atom: 4212 Blocpdb> 48 atoms in block 91 Block first atom: 4256 Blocpdb> 41 atoms in block 92 Block first atom: 4304 Blocpdb> 49 atoms in block 93 Block first atom: 4345 Blocpdb> 60 atoms in block 94 Block first atom: 4394 Blocpdb> 35 atoms in block 95 Block first atom: 4454 Blocpdb> 50 atoms in block 96 Block first atom: 4489 Blocpdb> 38 atoms in block 97 Block first atom: 4539 Blocpdb> 62 atoms in block 98 Block first atom: 4577 Blocpdb> 51 atoms in block 99 Block first atom: 4639 Blocpdb> 33 atoms in block 100 Block first atom: 4690 Blocpdb> 59 atoms in block 101 Block first atom: 4723 Blocpdb> 43 atoms in block 102 Block first atom: 4782 Blocpdb> 50 atoms in block 103 Block first atom: 4825 Blocpdb> 55 atoms in block 104 Block first atom: 4875 Blocpdb> 54 atoms in block 105 Block first atom: 4930 Blocpdb> 61 atoms in block 106 Block first atom: 4984 Blocpdb> 44 atoms in block 107 Block first atom: 5045 Blocpdb> 48 atoms in block 108 Block first atom: 5089 Blocpdb> 51 atoms in block 109 Block first atom: 5137 Blocpdb> 40 atoms in block 110 Block first atom: 5188 Blocpdb> 58 atoms in block 111 Block first atom: 5228 Blocpdb> 43 atoms in block 112 Block first atom: 5286 Blocpdb> 43 atoms in block 113 Block first atom: 5329 Blocpdb> 43 atoms in block 114 Block first atom: 5372 Blocpdb> 45 atoms in block 115 Block first atom: 5415 Blocpdb> 46 atoms in block 116 Block first atom: 5460 Blocpdb> 58 atoms in block 117 Block first atom: 5506 Blocpdb> 49 atoms in block 118 Block first atom: 5564 Blocpdb> 42 atoms in block 119 Block first atom: 5613 Blocpdb> 57 atoms in block 120 Block first atom: 5655 Blocpdb> 42 atoms in block 121 Block first atom: 5712 Blocpdb> 50 atoms in block 122 Block first atom: 5754 Blocpdb> 46 atoms in block 123 Block first atom: 5804 Blocpdb> 43 atoms in block 124 Block first atom: 5850 Blocpdb> 45 atoms in block 125 Block first atom: 5893 Blocpdb> 59 atoms in block 126 Block first atom: 5938 Blocpdb> 49 atoms in block 127 Block first atom: 5997 Blocpdb> 37 atoms in block 128 Block first atom: 6046 Blocpdb> 53 atoms in block 129 Block first atom: 6083 Blocpdb> 28 atoms in block 130 Block first atom: 6136 Blocpdb> 50 atoms in block 131 Block first atom: 6164 Blocpdb> 54 atoms in block 132 Block first atom: 6214 Blocpdb> 49 atoms in block 133 Block first atom: 6268 Blocpdb> 40 atoms in block 134 Block first atom: 6317 Blocpdb> 48 atoms in block 135 Block first atom: 6357 Blocpdb> 47 atoms in block 136 Block first atom: 6405 Blocpdb> 54 atoms in block 137 Block first atom: 6452 Blocpdb> 42 atoms in block 138 Block first atom: 6506 Blocpdb> 22 atoms in block 139 Block first atom: 6548 Blocpdb> 45 atoms in block 140 Block first atom: 6570 Blocpdb> 41 atoms in block 141 Block first atom: 6615 Blocpdb> 63 atoms in block 142 Block first atom: 6656 Blocpdb> 39 atoms in block 143 Block first atom: 6719 Blocpdb> 54 atoms in block 144 Block first atom: 6758 Blocpdb> 46 atoms in block 145 Block first atom: 6812 Blocpdb> 51 atoms in block 146 Block first atom: 6858 Blocpdb> 45 atoms in block 147 Block first atom: 6909 Blocpdb> 53 atoms in block 148 Block first atom: 6954 Blocpdb> 47 atoms in block 149 Block first atom: 7007 Blocpdb> 57 atoms in block 150 Block first atom: 7054 Blocpdb> 54 atoms in block 151 Block first atom: 7111 Blocpdb> 46 atoms in block 152 Block first atom: 7165 Blocpdb> 38 atoms in block 153 Block first atom: 7211 Blocpdb> 58 atoms in block 154 Block first atom: 7249 Blocpdb> 38 atoms in block 155 Block first atom: 7307 Blocpdb> 48 atoms in block 156 Block first atom: 7345 Blocpdb> 63 atoms in block 157 Block first atom: 7393 Blocpdb> 57 atoms in block 158 Block first atom: 7456 Blocpdb> 30 atoms in block 159 Block first atom: 7513 Blocpdb> 58 atoms in block 160 Block first atom: 7543 Blocpdb> 43 atoms in block 161 Block first atom: 7601 Blocpdb> 43 atoms in block 162 Block first atom: 7644 Blocpdb> 49 atoms in block 163 Block first atom: 7687 Blocpdb> 58 atoms in block 164 Block first atom: 7736 Blocpdb> 54 atoms in block 165 Block first atom: 7794 Blocpdb> 54 atoms in block 166 Block first atom: 7848 Blocpdb> 42 atoms in block 167 Block first atom: 7902 Blocpdb> 38 atoms in block 168 Block first atom: 7944 Blocpdb> 40 atoms in block 169 Block first atom: 7982 Blocpdb> 34 atoms in block 170 Block first atom: 8022 Blocpdb> 38 atoms in block 171 Block first atom: 8056 Blocpdb> 44 atoms in block 172 Block first atom: 8094 Blocpdb> 35 atoms in block 173 Block first atom: 8138 Blocpdb> 49 atoms in block 174 Block first atom: 8173 Blocpdb> 33 atoms in block 175 Block first atom: 8222 Blocpdb> 42 atoms in block 176 Block first atom: 8255 Blocpdb> 51 atoms in block 177 Block first atom: 8297 Blocpdb> 43 atoms in block 178 Block first atom: 8348 Blocpdb> 42 atoms in block 179 Block first atom: 8391 Blocpdb> 40 atoms in block 180 Block first atom: 8433 Blocpdb> 49 atoms in block 181 Block first atom: 8473 Blocpdb> 52 atoms in block 182 Block first atom: 8522 Blocpdb> 42 atoms in block 183 Block first atom: 8574 Blocpdb> 29 atoms in block 184 Block first atom: 8615 Blocpdb> 184 blocks. Blocpdb> At most, 64 atoms in each of them. Blocpdb> At least, 22 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> 6190069 matrix lines read. Prepmat> Matrix order = 25932 Prepmat> Matrix trace = 13642380.0000 Prepmat> Last element read: 25932 25932 200.4394 Prepmat> 17021 lines saved. Prepmat> 14933 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: 8644 RTB> Total mass = 8644.0000 RTB> Number of atoms found in matrix: 8644 RTB> Number of blocks = 184 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 451849.3935 RTB> 72372 non-zero elements. RTB> Normal end of RTB. Diagstd> Entering in. Openam> file on opening on unit 10: diagrtb_work.sdijb Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb Diagstd> CERFACS matrix format. Diagstd> Projected matrix order = 1104 Diagstd> Nb of non-zero elements: 72372 Diagstd> Projected matrix trace = 451849.3935 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 1104 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 451849.3935 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 1.0224261 1.6017422 3.0079615 3.9775707 4.1983510 5.1767597 5.5071913 6.4697295 6.9266955 7.3688816 8.1986101 9.2279673 9.7453535 11.1633260 11.5302576 13.1029810 13.3258871 15.7578204 16.0087915 16.9683686 18.2497982 18.3700728 18.8519317 20.4592505 20.9394950 22.0798824 22.4559775 23.3466503 24.1442551 24.7652626 25.5656552 26.6441691 27.3540114 28.2311109 30.1115550 30.7554509 31.2622706 31.6580148 32.7086321 35.2726302 35.6004952 36.8726819 37.1607092 37.5713506 38.4639082 39.3980871 39.5991998 41.2081280 42.5391676 42.8371852 43.9560483 45.2013621 46.3928897 47.4620679 48.0322191 49.2329064 50.9897203 51.8460245 52.0736620 53.8406679 54.6606653 55.6765853 56.5258304 57.1220100 58.1972449 59.6496927 59.8662211 61.9270295 62.2315966 63.6140110 65.4234412 66.5668527 67.4342366 68.9304389 69.8626298 70.1167214 70.7295536 71.4325718 72.3052142 73.2473334 74.3728931 74.5489728 75.7978074 76.5757822 77.7158862 78.4018561 79.2315300 80.4560606 81.1062136 81.9977028 83.2510754 84.3224164 84.5066865 85.8613202 86.1250330 86.8012571 87.5382720 88.4932592 89.8056666 91.2818319 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034298 0.0034301 0.0034306 0.0034316 0.0034333 0.0034342 109.8022522 137.4331770 188.3351657 216.5729605 222.5023749 247.0724283 254.8357544 276.2093284 285.7974367 294.7786806 310.9319823 329.8741648 338.9956144 362.8207224 368.7353583 393.0794471 396.4088526 431.0655872 434.4847670 447.3169190 463.8999375 465.4260841 471.4907844 491.1793957 496.9107384 510.2625069 514.5899056 524.6957775 533.5832469 540.4017523 549.0649789 560.5267858 567.9443613 576.9780135 595.8842030 602.2216017 607.1633368 610.9942443 621.0498643 644.9324114 647.9228555 659.3980274 661.9684289 665.6158943 673.4757843 681.6051268 683.3425838 697.0865820 708.2552036 710.7317936 719.9537549 730.0809916 739.6410261 748.1154235 752.5954810 761.9439370 775.4192801 781.9032365 783.6178859 796.8021545 802.8469037 810.2733891 816.4296260 820.7237868 828.4122132 838.6859845 840.2068208 854.5459190 856.6447385 866.1072423 878.3386069 885.9807630 891.7343640 901.5728026 907.6486058 909.2976748 913.2627389 917.7902155 923.3792028 929.3754360 936.4888653 937.5967909 945.4174231 950.2568329 957.3046799 961.5202887 966.5944595 974.0352238 977.9628190 983.3228316 990.8096013 997.1644846 998.2534434 1006.2225857 1007.7666469 1011.7152302 1016.0013032 1021.5282361 1029.0752913 1037.4984435 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 8644 Rtb_to_modes> Number of blocs = 184 Openam> file on opening on unit 10: diagrtb_work.eigenfacs Openam> file on opening on unit 11: matrix.eigenrtb Rdmodfacs> Entering in. Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Eigenvector number: 1 Rdmodfacs> Corresponding eigenvalue: 9.9758E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9773E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9806E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9861E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 9.9960E-10 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0002E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 1.022 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 1.602 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 3.008 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 3.978 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 4.198 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 5.177 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 5.507 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 6.470 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 6.927 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 7.369 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 8.199 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 9.228 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 9.745 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 11.16 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 11.53 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 13.10 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 13.33 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 15.76 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 16.01 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 16.97 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 18.25 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 18.37 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 18.85 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 20.46 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 20.94 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 22.08 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 22.46 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 23.35 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 24.14 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 24.77 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 25.57 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 26.64 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 27.35 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 28.23 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 30.11 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 30.76 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 31.26 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 31.66 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 32.71 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 35.27 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 35.60 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 36.87 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 37.16 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 37.57 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 38.46 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 39.40 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 39.60 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 41.21 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 42.54 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 42.84 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 43.96 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 45.20 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 46.39 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 47.46 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 48.03 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 49.23 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 50.99 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 51.85 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 52.07 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 53.84 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 54.66 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 55.68 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 56.53 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 57.12 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 58.20 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 59.65 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 59.87 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 61.93 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 62.23 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 63.61 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 65.42 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 66.57 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 67.43 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 68.93 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 69.86 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 70.12 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 70.73 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 71.43 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 72.31 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 73.25 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 74.37 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 74.55 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 75.80 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 76.58 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 77.72 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 78.40 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 79.23 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 80.46 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 81.11 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 82.00 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 83.25 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 84.32 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 84.51 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 85.86 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 86.13 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 86.80 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 87.54 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 88.49 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 89.81 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 91.28 Rtb_to_modes> 106 vectors, with 1104 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 1.00001 1.00000 1.00000 0.99999 1.00000 1.00001 1.00000 1.00001 0.99998 1.00000 1.00002 0.99998 1.00002 1.00000 1.00001 1.00002 0.99999 1.00000 1.00000 0.99999 0.99999 1.00000 0.99997 0.99998 0.99997 1.00001 1.00001 0.99997 0.99999 1.00000 1.00001 0.99999 0.99999 1.00001 1.00002 1.00003 1.00003 1.00001 1.00003 1.00000 0.99999 1.00002 1.00000 0.99999 1.00001 1.00001 0.99997 0.99998 1.00000 1.00000 1.00000 1.00001 1.00001 1.00001 1.00001 1.00002 1.00001 1.00000 1.00002 1.00000 1.00000 0.99998 0.99996 0.99998 1.00001 0.99999 1.00003 0.99997 1.00000 1.00000 0.99999 1.00000 1.00000 0.99998 1.00001 1.00000 1.00001 1.00000 1.00002 1.00002 1.00001 0.99999 1.00004 0.99999 0.99998 0.99999 1.00002 1.00000 0.99998 1.00002 0.99997 1.00001 0.99997 0.99998 1.00000 0.99997 1.00002 1.00001 1.00000 0.99998 1.00003 1.00000 0.99997 0.99999 0.99999 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 155592 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 1.00001 1.00000 1.00000 0.99999 1.00000 1.00001 1.00000 1.00001 0.99998 1.00000 1.00002 0.99998 1.00002 1.00000 1.00001 1.00002 0.99999 1.00000 1.00000 0.99999 0.99999 1.00000 0.99997 0.99998 0.99997 1.00001 1.00001 0.99997 0.99999 1.00000 1.00001 0.99999 0.99999 1.00001 1.00002 1.00003 1.00003 1.00001 1.00003 1.00000 0.99999 1.00002 1.00000 0.99999 1.00001 1.00001 0.99997 0.99998 1.00000 1.00000 1.00000 1.00001 1.00001 1.00001 1.00001 1.00002 1.00001 1.00000 1.00002 1.00000 1.00000 0.99998 0.99996 0.99998 1.00001 0.99999 1.00003 0.99997 1.00000 1.00000 0.99999 1.00000 1.00000 0.99998 1.00001 1.00000 1.00001 1.00000 1.00002 1.00002 1.00001 0.99999 1.00004 0.99999 0.99998 0.99999 1.00002 1.00000 0.99998 1.00002 0.99997 1.00001 0.99997 0.99998 1.00000 0.99997 1.00002 1.00001 1.00000 0.99998 1.00003 1.00000 0.99997 0.99999 0.99999 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3:-0.000-0.000 Vector 4:-0.000-0.000-0.000 Vector 5:-0.000 0.000 0.000 0.000 Vector 6: 0.000 0.000-0.000-0.000-0.000 Vector 7:-0.000 0.000 0.000-0.000-0.000-0.000 Vector 8:-0.000-0.000-0.000 0.000-0.000-0.000 0.000 Vector 9: 0.000-0.000-0.000 0.000-0.000 0.000-0.000 0.000 Vector 10:-0.000-0.000 0.000-0.000 0.000 0.000 0.000-0.000 0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2607191900252545021.eigenfacs Openam> file on opening on unit 10: 2607191900252545021.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2607191900252545021.atom Openam> file on opening on unit 11: 2607191900252545021.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 = 548 First residue number = 5 Last residue number = 80 Number of atoms found = 8644 Mean number per residue = 15.8 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9758E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9773E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9806E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9861E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9960E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 1.022 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 1.602 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 3.008 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 3.978 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 4.198 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 5.177 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 5.507 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 6.470 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 6.927 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 7.369 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 8.199 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 9.228 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 9.745 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 11.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 11.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 13.10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 13.33 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 15.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 16.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 16.97 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 18.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 18.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 18.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 20.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 20.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 22.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 22.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 23.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 24.14 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 24.77 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 25.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 26.64 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 27.35 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 28.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 30.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 30.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 31.26 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 31.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 32.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 35.27 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 35.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 36.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 37.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 37.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 38.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 39.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 39.60 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 41.21 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 42.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 42.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 43.96 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 45.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 46.39 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 47.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 48.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 49.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 50.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 51.85 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 52.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 53.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 54.66 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 55.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 56.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 57.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 58.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 59.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 59.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 61.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 62.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 63.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 65.42 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 66.57 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 67.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 68.93 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 69.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 70.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 70.73 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 71.43 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 72.31 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 73.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 74.37 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 74.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 75.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 76.58 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 77.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 78.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 79.23 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 80.46 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 81.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 82.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 83.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 84.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 84.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 85.86 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 86.13 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 86.80 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 87.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 88.49 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 89.81 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 91.28 Bfactors> 106 vectors, 25932 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 : 1.022000 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= -0.263 for 548 C-alpha atoms. Bfactors> = 0.009 +/- 0.02 Bfactors> = 0.542 +/- 0.09 Bfactors> Shiftng-fct= 0.532 Bfactors> Scaling-fct= 5.632 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2607191900252545021.eigenfacs Openam> file on opening on unit 10: 2607191900252545021.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4297E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4299E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4305E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4314E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4331E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 109.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 137.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 188.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 216.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 222.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 247.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 254.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 276.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 285.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 294.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 310.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 329.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 339.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 362.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 368.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 393.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 396.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 431.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 434.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 447.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 463.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 465.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 471.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 491.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 496.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 510.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 514.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 524.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 533.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 540.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 549.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 560.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 567.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 576.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 595.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 602.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 607.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 611.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 621.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 644.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 647.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 659.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 661.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 665.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 673.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 681.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 683.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 697.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 708.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 710.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 720.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 730.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 739.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 748.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 752.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 761.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 775.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 781.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 783.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 796.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 802.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 810.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 816.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 820.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 828.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 838.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 840.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 854.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 856.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 866.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 878.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 886.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 891.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 901.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 907.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 909.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 913.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 917.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 923.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 929.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 936.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 937.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 945.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 950.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 957.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 961.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 966.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 974.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 977.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 983.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 990.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 997.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 998.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 1006. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 1008. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 1012. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 1016. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 1021. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 1029. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 1037. Chkmod> 106 vectors, 25932 coordinates in file. Chkmod> That is: 8644 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 0.9785 0.0034 0.7794 0.0034 0.8448 0.0034 0.8269 0.0034 0.6578 0.0034 0.8032 109.7747 0.2439 137.4383 0.3089 188.3283 0.1850 216.5754 0.0742 222.4835 0.0937 247.0676 0.1062 254.8204 0.2714 276.2032 0.2648 285.7914 0.2152 294.7684 0.3061 310.9260 0.2981 329.8606 0.3862 338.9749 0.3162 362.7511 0.1807 368.7154 0.0967 393.0179 0.2926 396.4530 0.3502 431.0769 0.3789 434.4825 0.4392 447.3192 0.2630 463.8826 0.3319 465.4052 0.2040 471.4464 0.1140 491.1673 0.3793 496.8954 0.3631 510.2420 0.2714 514.6139 0.3272 524.7109 0.4654 533.5133 0.1581 540.4302 0.2636 549.0881 0.2859 560.4589 0.3152 567.8783 0.5815 576.9419 0.4380 595.8432 0.3712 602.2403 0.3934 607.1152 0.1259 610.9872 0.3578 621.0362 0.2759 644.8807 0.3940 647.8905 0.4022 659.3457 0.2859 661.9337 0.4431 665.5754 0.3623 673.4127 0.3236 681.5924 0.1997 683.3202 0.2934 697.0725 0.3960 708.2317 0.4004 710.7246 0.2898 719.9552 0.2758 730.0387 0.3891 739.5862 0.3570 748.0670 0.3667 752.5458 0.4051 761.8887 0.4639 775.3881 0.2354 781.8996 0.2361 783.5567 0.3252 796.7630 0.3857 802.8076 0.5395 810.2635 0.3682 816.4247 0.4385 820.6741 0.3321 828.3963 0.4550 838.6521 0.3312 840.1973 0.3379 854.5297 0.4125 856.5970 0.2429 866.0428 0.3956 878.2778 0.4314 885.9637 0.4353 891.6681 0.3604 901.5312 0.3118 907.5926 0.3942 909.2799 0.3745 913.2264 0.3573 917.7343 0.2271 923.3701 0.3254 929.3525 0.3682 936.4305 0.3557 937.5630 0.1955 945.3905 0.2904 950.2422 0.3531 957.2889 0.3328 961.4676 0.2766 966.5436 0.4123 974.0173 0.4121 977.9437 0.5067 983.2944 0.3824 990.7607 0.2581 997.1074 0.3636 998.2302 0.3399 1006.1717 0.3970 1007.7524 0.3573 1011.6645 0.3420 1015.9677 0.4515 1021.4656 0.3323 1029.0559 0.4548 1037.4435 0.2597 getting mode 7 running: ../../bin/get_modes.sh 2607191900252545021 7 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.7.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.7.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.7.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2607191900252545021 8 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.8.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.8.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.8.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2607191900252545021 9 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.9.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.9.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.9.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2607191900252545021 10 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.10.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.10.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.10.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2607191900252545021 11 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.11.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.11.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.11.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 2607191900252545021 12 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.12.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.12.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.12.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 2607191900252545021 13 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.13.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.13.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.13.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 2607191900252545021 14 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.14.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.14.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.14.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 2607191900252545021 15 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.15.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.15.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.15.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 2607191900252545021 16 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.16.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.16.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.16.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 17 running: ../../bin/get_modes.sh 2607191900252545021 17 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.17.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.17.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.17.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 18 running: ../../bin/get_modes.sh 2607191900252545021 18 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.18.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.18.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.18.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 19 running: ../../bin/get_modes.sh 2607191900252545021 19 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.19.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.19.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.19.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 20 running: ../../bin/get_modes.sh 2607191900252545021 20 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.20.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.20.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.20.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 21 running: ../../bin/get_modes.sh 2607191900252545021 21 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.21.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.21.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.21.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 22 running: ../../bin/get_modes.sh 2607191900252545021 22 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.22.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.22.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.22.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 23 running: ../../bin/get_modes.sh 2607191900252545021 23 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.23.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.23.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.23.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 24 running: ../../bin/get_modes.sh 2607191900252545021 24 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.24.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.24.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.24.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 25 running: ../../bin/get_modes.sh 2607191900252545021 25 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.25.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.25.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.25.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 26 running: ../../bin/get_modes.sh 2607191900252545021 26 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.26.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.26.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.26.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 27 running: ../../bin/get_modes.sh 2607191900252545021 27 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.27.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.27.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.27.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 28 running: ../../bin/get_modes.sh 2607191900252545021 28 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.28.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.28.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.28.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 29 running: ../../bin/get_modes.sh 2607191900252545021 29 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.29.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.29.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.29.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 30 running: ../../bin/get_modes.sh 2607191900252545021 30 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.30.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.30.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.30.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 31 running: ../../bin/get_modes.sh 2607191900252545021 31 -100 100 20 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=-20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=0 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=20 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=40 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=60 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=80 2607191900252545021.eigenfacs 2607191900252545021.atom calculating perturbed structure for DQ=100 2607191900252545021.eigenfacs 2607191900252545021.atom making animated gifs 11 models are in 2607191900252545021.31.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.31.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 11 models are in 2607191900252545021.31.pdb, 1 models will be skipped MODEL 1 will be plotted MODEL 3 will be plotted MODEL 5 will be plotted MODEL 7 will be plotted MODEL 9 will be plotted MODEL 11 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 2607191900252545021.10.pdb 2607191900252545021.11.pdb 2607191900252545021.12.pdb 2607191900252545021.13.pdb 2607191900252545021.14.pdb 2607191900252545021.15.pdb 2607191900252545021.16.pdb 2607191900252545021.17.pdb 2607191900252545021.18.pdb 2607191900252545021.19.pdb 2607191900252545021.20.pdb 2607191900252545021.21.pdb 2607191900252545021.22.pdb 2607191900252545021.23.pdb 2607191900252545021.24.pdb 2607191900252545021.25.pdb 2607191900252545021.26.pdb 2607191900252545021.27.pdb 2607191900252545021.28.pdb 2607191900252545021.29.pdb 2607191900252545021.30.pdb 2607191900252545021.31.pdb 2607191900252545021.7.pdb 2607191900252545021.8.pdb 2607191900252545021.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 1m15.223s user 1m14.779s sys 0m0.413s rm: cannot remove '2607191900252545021.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 format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format




If you find results from this site helpful for your research, please cite one of our papers:

elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.