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 hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.


***  FXIa WT  ***

LOGs for ID: 2602061617263047109

Output from eigenvector calculation:


STDOUT:
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 = 2602061617263047109.atom Pdbmat> Distance cutoff = 15.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2602061617263047109.atom to be opened. Openam> File opened: 2602061617263047109.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 = 238 First residue number = 1 Last residue number = 238 Number of atoms found = 1890 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = -1.329749 +/- 10.415603 From: -28.184000 To: 22.327000 = -0.297599 +/- 8.902439 From: -19.851000 To: 22.188000 = -0.520497 +/- 9.971068 From: -25.505000 To: 22.012000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 21.5802 % Filled. Pdbmat> 3469506 non-zero elements. Pdbmat> 384274 atom-atom interactions. Pdbmat> Number per atom= 406.64 +/- 142.34 Maximum number = 737 Minimum number = 80 Pdbmat> Matrix trace = 7.685480E+06 Pdbmat> Larger element = 2646.03 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 238 non-zero elements, NRBL set to 2 Diagonalize Tirion matrix using diagrtb Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation. Diagrtb> Version 2.52, November 2004. Diagrtb> Options to be read in diagrtb.dat file. Diagrtb> Options taken into account: MATRix filename = pdbmat.sdijb COORdinates filename = 2602061617263047109.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 2 Origin of MASS values = CONS MATRix FORMat = BINA Temporary files cleaning = ALL Output PRINting level = 2 Diagrtb> Memory allocation for Blocpdb. Blocpdb> Entering in. Openam> file on opening on unit 10: diagrtb_work.xyzm Blocpdb> Coordinate file 2602061617263047109.atom to be opened. Openam> file on opening on unit 11: 2602061617263047109.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 1890 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 2 residue(s) per block. Blocpdb> 238 residues. Blocpdb> 15 atoms in block 1 Block first atom: 1 Blocpdb> 8 atoms in block 2 Block first atom: 16 Blocpdb> 12 atoms in block 3 Block first atom: 24 Blocpdb> 13 atoms in block 4 Block first atom: 36 Blocpdb> 15 atoms in block 5 Block first atom: 49 Blocpdb> 23 atoms in block 6 Block first atom: 64 Blocpdb> 21 atoms in block 7 Block first atom: 87 Blocpdb> 16 atoms in block 8 Block first atom: 108 Blocpdb> 15 atoms in block 9 Block first atom: 124 Blocpdb> 17 atoms in block 10 Block first atom: 139 Blocpdb> 13 atoms in block 11 Block first atom: 156 Blocpdb> 14 atoms in block 12 Block first atom: 169 Blocpdb> 20 atoms in block 13 Block first atom: 183 Blocpdb> 18 atoms in block 14 Block first atom: 203 Blocpdb> 10 atoms in block 15 Block first atom: 221 Blocpdb> 10 atoms in block 16 Block first atom: 231 Blocpdb> 16 atoms in block 17 Block first atom: 241 Blocpdb> 12 atoms in block 18 Block first atom: 257 Blocpdb> 23 atoms in block 19 Block first atom: 269 Blocpdb> 16 atoms in block 20 Block first atom: 292 Blocpdb> 12 atoms in block 21 Block first atom: 308 Blocpdb> 15 atoms in block 22 Block first atom: 320 Blocpdb> 17 atoms in block 23 Block first atom: 335 Blocpdb> 16 atoms in block 24 Block first atom: 352 Blocpdb> 16 atoms in block 25 Block first atom: 368 Blocpdb> 13 atoms in block 26 Block first atom: 384 Blocpdb> 17 atoms in block 27 Block first atom: 397 Blocpdb> 19 atoms in block 28 Block first atom: 414 Blocpdb> 19 atoms in block 29 Block first atom: 433 Blocpdb> 10 atoms in block 30 Block first atom: 452 Blocpdb> 16 atoms in block 31 Block first atom: 462 Blocpdb> 18 atoms in block 32 Block first atom: 478 Blocpdb> 15 atoms in block 33 Block first atom: 496 Blocpdb> 17 atoms in block 34 Block first atom: 511 Blocpdb> 17 atoms in block 35 Block first atom: 528 Blocpdb> 13 atoms in block 36 Block first atom: 545 Blocpdb> 22 atoms in block 37 Block first atom: 558 Blocpdb> 11 atoms in block 38 Block first atom: 580 Blocpdb> 18 atoms in block 39 Block first atom: 591 Blocpdb> 16 atoms in block 40 Block first atom: 609 Blocpdb> 18 atoms in block 41 Block first atom: 625 Blocpdb> 17 atoms in block 42 Block first atom: 643 Blocpdb> 21 atoms in block 43 Block first atom: 660 Blocpdb> 13 atoms in block 44 Block first atom: 681 Blocpdb> 15 atoms in block 45 Block first atom: 694 Blocpdb> 16 atoms in block 46 Block first atom: 709 Blocpdb> 16 atoms in block 47 Block first atom: 725 Blocpdb> 13 atoms in block 48 Block first atom: 741 Blocpdb> 17 atoms in block 49 Block first atom: 754 Blocpdb> 17 atoms in block 50 Block first atom: 771 Blocpdb> 14 atoms in block 51 Block first atom: 788 Blocpdb> 16 atoms in block 52 Block first atom: 802 Blocpdb> 19 atoms in block 53 Block first atom: 818 Blocpdb> 14 atoms in block 54 Block first atom: 837 Blocpdb> 20 atoms in block 55 Block first atom: 851 Blocpdb> 15 atoms in block 56 Block first atom: 871 Blocpdb> 14 atoms in block 57 Block first atom: 886 Blocpdb> 13 atoms in block 58 Block first atom: 900 Blocpdb> 13 atoms in block 59 Block first atom: 913 Blocpdb> 19 atoms in block 60 Block first atom: 926 Blocpdb> 15 atoms in block 61 Block first atom: 945 Blocpdb> 20 atoms in block 62 Block first atom: 960 Blocpdb> 15 atoms in block 63 Block first atom: 980 Blocpdb> 20 atoms in block 64 Block first atom: 995 Blocpdb> 14 atoms in block 65 Block first atom: 1015 Blocpdb> 18 atoms in block 66 Block first atom: 1029 Blocpdb> 16 atoms in block 67 Block first atom: 1047 Blocpdb> 20 atoms in block 68 Block first atom: 1063 Blocpdb> 19 atoms in block 69 Block first atom: 1083 Blocpdb> 17 atoms in block 70 Block first atom: 1102 Blocpdb> 17 atoms in block 71 Block first atom: 1119 Blocpdb> 15 atoms in block 72 Block first atom: 1136 Blocpdb> 17 atoms in block 73 Block first atom: 1151 Blocpdb> 14 atoms in block 74 Block first atom: 1168 Blocpdb> 17 atoms in block 75 Block first atom: 1182 Blocpdb> 15 atoms in block 76 Block first atom: 1199 Blocpdb> 14 atoms in block 77 Block first atom: 1214 Blocpdb> 17 atoms in block 78 Block first atom: 1228 Blocpdb> 15 atoms in block 79 Block first atom: 1245 Blocpdb> 18 atoms in block 80 Block first atom: 1260 Blocpdb> 23 atoms in block 81 Block first atom: 1278 Blocpdb> 15 atoms in block 82 Block first atom: 1301 Blocpdb> 19 atoms in block 83 Block first atom: 1316 Blocpdb> 15 atoms in block 84 Block first atom: 1335 Blocpdb> 19 atoms in block 85 Block first atom: 1350 Blocpdb> 16 atoms in block 86 Block first atom: 1369 Blocpdb> 11 atoms in block 87 Block first atom: 1385 Blocpdb> 16 atoms in block 88 Block first atom: 1396 Blocpdb> 20 atoms in block 89 Block first atom: 1412 Blocpdb> 8 atoms in block 90 Block first atom: 1432 Blocpdb> 17 atoms in block 91 Block first atom: 1440 Blocpdb> 11 atoms in block 92 Block first atom: 1457 Blocpdb> 13 atoms in block 93 Block first atom: 1468 Blocpdb> 14 atoms in block 94 Block first atom: 1481 Blocpdb> 8 atoms in block 95 Block first atom: 1495 Blocpdb> 15 atoms in block 96 Block first atom: 1503 Blocpdb> 12 atoms in block 97 Block first atom: 1518 Blocpdb> 19 atoms in block 98 Block first atom: 1530 Blocpdb> 17 atoms in block 99 Block first atom: 1549 Blocpdb> 21 atoms in block 100 Block first atom: 1566 Blocpdb> 18 atoms in block 101 Block first atom: 1587 Blocpdb> 11 atoms in block 102 Block first atom: 1605 Blocpdb> 15 atoms in block 103 Block first atom: 1616 Blocpdb> 20 atoms in block 104 Block first atom: 1631 Blocpdb> 13 atoms in block 105 Block first atom: 1651 Blocpdb> 10 atoms in block 106 Block first atom: 1664 Blocpdb> 14 atoms in block 107 Block first atom: 1674 Blocpdb> 20 atoms in block 108 Block first atom: 1688 Blocpdb> 18 atoms in block 109 Block first atom: 1708 Blocpdb> 11 atoms in block 110 Block first atom: 1726 Blocpdb> 19 atoms in block 111 Block first atom: 1737 Blocpdb> 15 atoms in block 112 Block first atom: 1756 Blocpdb> 16 atoms in block 113 Block first atom: 1771 Blocpdb> 19 atoms in block 114 Block first atom: 1787 Blocpdb> 22 atoms in block 115 Block first atom: 1806 Blocpdb> 16 atoms in block 116 Block first atom: 1828 Blocpdb> 18 atoms in block 117 Block first atom: 1844 Blocpdb> 16 atoms in block 118 Block first atom: 1862 Blocpdb> 13 atoms in block 119 Block first atom: 1877 Blocpdb> 119 blocks. Blocpdb> At most, 23 atoms in each of them. Blocpdb> At least, 8 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> 3469625 matrix lines read. Prepmat> Matrix order = 5670 Prepmat> Matrix trace = 7685480.0000 Prepmat> Last element read: 5670 5670 421.8703 Prepmat> 7141 lines saved. Prepmat> 3841 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: 1890 RTB> Total mass = 1890.0000 RTB> Number of atoms found in matrix: 1890 RTB> Number of blocks = 119 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 945105.2445 RTB> 116979 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 = 714 Diagstd> Nb of non-zero elements: 116979 Diagstd> Projected matrix trace = 945105.2445 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 714 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 945105.2445 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 90.5324014 102.2664409 106.4163233 130.5405731 154.4372458 179.3717218 193.8311722 197.7914403 215.1041515 222.3244503 230.3225908 235.5954635 242.9305019 267.0949061 277.8576170 291.1832956 297.0052643 299.2593249 304.1338438 305.5054629 313.1146122 317.3738044 319.5656064 329.4033796 334.5111422 343.5242287 347.0749582 352.1140658 360.2787699 364.1769070 371.6109829 374.8536319 376.7005792 394.8797173 406.4064319 409.9668140 419.6877310 420.3859670 424.5204634 430.0741016 436.7079331 447.8180914 451.0180252 454.1639179 457.3052289 465.5759029 476.4870748 481.9846104 485.9080002 492.4276578 495.5903749 502.1862469 510.3094506 514.1957776 518.8024135 524.6221912 532.0476344 537.5539200 545.8825921 552.4986120 553.8225305 562.6363580 571.3789597 573.7251104 578.8067408 583.0722706 585.5772177 592.5490731 599.4371665 603.0964075 608.7991551 610.6388914 612.8763007 620.9828494 623.0480210 628.7932142 633.5785072 636.6840214 643.3907380 646.2506183 647.2530870 656.7034839 660.0386159 661.0456083 663.8980401 667.4290486 671.0253627 675.8431099 679.7603704 686.2437441 688.9478983 689.9934124 693.0015907 697.4603702 701.7223340 706.7708906 710.1944547 714.9039614 720.4381840 724.3848042 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034282 0.0034308 0.0034317 0.0034320 0.0034375 0.0034407 1033.2306968 1098.1504684 1120.2098970 1240.7035867 1349.4950760 1454.3611631 1511.8443851 1527.2109412 1592.6475449 1619.1567469 1648.0240638 1666.7817710 1692.5297223 1774.7128055 1810.1161103 1853.0131819 1871.4462310 1878.5342869 1893.7718455 1898.0374207 1921.5290208 1934.5538323 1941.2224092 1970.8760209 1986.0975440 2012.6764585 2023.0514149 2037.6846189 2061.1738118 2072.2945357 2093.3389330 2102.4522536 2107.6254020 2157.8820072 2189.1502331 2198.7185056 2224.6332139 2226.4830098 2237.4049526 2251.9924267 2269.2942928 2297.9792224 2306.1748402 2314.2037562 2322.1932795 2343.0983995 2370.3956555 2384.0308229 2393.7142491 2409.7195388 2417.4456108 2433.4794755 2453.0821138 2462.4052776 2473.4109219 2487.2452423 2504.7854887 2517.7134319 2537.1427484 2552.4713492 2555.5276843 2575.7824325 2595.7173636 2601.0410682 2612.5347175 2622.1436146 2627.7700967 2643.3668655 2658.6863975 2666.7889752 2679.3675963 2683.4129463 2688.3245263 2706.0454286 2710.5413736 2723.0097941 2733.3515901 2740.0422258 2754.4359791 2760.5509435 2762.6912073 2782.7868370 2789.8442136 2791.9715749 2797.9888117 2805.4196368 2812.9677168 2823.0477600 2831.2172859 2844.6869435 2850.2861997 2852.4481081 2858.6592837 2867.8408609 2876.5897583 2886.9190569 2893.9026583 2903.4819603 2914.6985283 2922.6711049 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 1890 Rtb_to_modes> Number of blocs = 119 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: 9.9666E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9817E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9869E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9887E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0021E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0039E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 90.53 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 102.3 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 106.4 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 130.5 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 154.4 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 179.4 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 193.8 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 197.8 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 215.1 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 222.3 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 230.3 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 235.6 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 242.9 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 267.1 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 277.9 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 291.2 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 297.0 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 299.3 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 304.1 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 305.5 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 313.1 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 317.4 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 319.6 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 329.4 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 334.5 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 343.5 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 347.1 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 352.1 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 360.3 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 364.2 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 371.6 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 374.9 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 376.7 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 394.9 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 406.4 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 410.0 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 419.7 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 420.4 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 424.5 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 430.1 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 436.7 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 447.8 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 451.0 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 454.2 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 457.3 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 465.6 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 476.5 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 482.0 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 485.9 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 492.4 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 495.6 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 502.2 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 510.3 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 514.2 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 518.8 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 524.6 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 532.0 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 537.6 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 545.9 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 552.5 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 553.8 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 562.6 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 571.4 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 573.7 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 578.8 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 583.1 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 585.6 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 592.5 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 599.4 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 603.1 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 608.8 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 610.6 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 612.9 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 621.0 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 623.0 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 628.8 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 633.6 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 636.7 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 643.4 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 646.3 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 647.3 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 656.7 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 660.0 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 661.0 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 663.9 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 667.4 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 671.0 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 675.8 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 679.8 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 686.2 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 688.9 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 690.0 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 693.0 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 697.5 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 701.7 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 706.8 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 710.2 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 714.9 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 720.4 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 724.4 Rtb_to_modes> 106 vectors, with 714 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 0.99998 1.00002 1.00000 1.00000 1.00000 1.00002 1.00001 0.99999 1.00001 1.00002 1.00000 1.00002 1.00001 0.99999 1.00001 1.00003 1.00003 1.00002 1.00000 1.00000 1.00000 0.99999 0.99997 1.00003 0.99997 1.00000 0.99999 1.00004 1.00000 1.00002 1.00000 1.00003 0.99997 0.99998 1.00000 1.00004 1.00002 1.00000 0.99997 1.00000 1.00002 1.00005 0.99998 1.00001 1.00000 1.00000 0.99998 1.00001 1.00000 1.00000 1.00001 1.00001 0.99999 1.00000 0.99999 0.99998 0.99999 1.00003 1.00004 0.99998 1.00003 1.00001 1.00001 0.99999 1.00002 0.99998 0.99999 0.99998 1.00000 0.99999 0.99998 0.99999 1.00000 1.00003 0.99999 0.99999 0.99999 0.99996 1.00000 0.99998 1.00000 1.00001 1.00001 1.00002 1.00002 1.00003 1.00000 0.99994 0.99998 1.00000 1.00000 1.00001 0.99997 0.99998 0.99997 1.00000 1.00005 0.99998 0.99996 1.00002 0.99998 0.99995 1.00001 0.99998 0.99997 1.00001 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 34020 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 0.99998 1.00002 1.00000 1.00000 1.00000 1.00002 1.00001 0.99999 1.00001 1.00002 1.00000 1.00002 1.00001 0.99999 1.00001 1.00003 1.00003 1.00002 1.00000 1.00000 1.00000 0.99999 0.99997 1.00003 0.99997 1.00000 0.99999 1.00004 1.00000 1.00002 1.00000 1.00003 0.99997 0.99998 1.00000 1.00004 1.00002 1.00000 0.99997 1.00000 1.00002 1.00005 0.99998 1.00001 1.00000 1.00000 0.99998 1.00001 1.00000 1.00000 1.00001 1.00001 0.99999 1.00000 0.99999 0.99998 0.99999 1.00003 1.00004 0.99998 1.00003 1.00001 1.00001 0.99999 1.00002 0.99998 0.99999 0.99998 1.00000 0.99999 0.99998 0.99999 1.00000 1.00003 0.99999 0.99999 0.99999 0.99996 1.00000 0.99998 1.00000 1.00001 1.00001 1.00002 1.00002 1.00003 1.00000 0.99994 0.99998 1.00000 1.00000 1.00001 0.99997 0.99998 0.99997 1.00000 1.00005 0.99998 0.99996 1.00002 0.99998 0.99995 1.00001 0.99998 0.99997 1.00001 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3: 0.000-0.000 Vector 4: 0.000 0.000 0.000 Vector 5:-0.000-0.000-0.000 0.000 Vector 6:-0.000 0.000 0.000-0.000-0.000 Vector 7: 0.000 0.000-0.000-0.000-0.000 0.000 Vector 8:-0.000 0.000 0.000 0.000-0.000 0.000-0.000 Vector 9: 0.000 0.000-0.000 0.000-0.000-0.000-0.000 0.000 Vector 10: 0.000 0.000 0.000 0.000-0.000-0.000-0.000 0.000 0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2602061617263047109.eigenfacs Openam> file on opening on unit 10: 2602061617263047109.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2602061617263047109.atom Openam> file on opening on unit 11: 2602061617263047109.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 = 238 First residue number = 1 Last residue number = 238 Number of atoms found = 1890 Mean number per residue = 7.9 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9666E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9817E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9869E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9887E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0021E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0039E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 90.53 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 102.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 106.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 130.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 154.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 179.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 193.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 197.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 215.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 222.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 230.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 235.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 242.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 267.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 277.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 291.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 297.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 299.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 304.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 305.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 313.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 317.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 319.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 329.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 334.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 343.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 347.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 352.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 360.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 364.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 371.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 374.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 376.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 394.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 406.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 410.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 419.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 420.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 424.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 430.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 436.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 447.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 451.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 454.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 457.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 465.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 476.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 482.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 485.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 492.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 495.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 502.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 510.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 514.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 518.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 524.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 532.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 537.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 545.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 552.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 553.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 562.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 571.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 573.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 578.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 583.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 585.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 592.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 599.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 603.1 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 608.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 610.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 612.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 621.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 623.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 628.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 633.6 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 636.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 643.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 646.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 647.3 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 656.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 660.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 661.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 663.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 667.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 671.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 675.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 679.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 686.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 688.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 690.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 693.0 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 697.5 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 701.7 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 706.8 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 710.2 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 714.9 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 720.4 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 724.4 Bfactors> 106 vectors, 5670 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 : 90.530000 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= -0.696 for 238 C-alpha atoms. Bfactors> = 0.001 +/- 0.00 Bfactors> = 97.305 +/- 4.33 Bfactors> Shiftng-fct= 97.303 Bfactors> Scaling-fct= 1763.067 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes Chkmod> Version 1.00, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2602061617263047109.eigenfacs Openam> file on opening on unit 10: 2602061617263047109.eigenfacs Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Frequence du vecteur en lecture: 3.4281E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Frequence du vecteur en lecture: 3.4307E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Frequence du vecteur en lecture: 3.4316E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Frequence du vecteur en lecture: 3.4319E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Frequence du vecteur en lecture: 3.4374E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Frequence du vecteur en lecture: 3.4405E-03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Frequence du vecteur en lecture: 1033. Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Frequence du vecteur en lecture: 1098. Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Frequence du vecteur en lecture: 1120. Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Frequence du vecteur en lecture: 1240. Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Frequence du vecteur en lecture: 1349. Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Frequence du vecteur en lecture: 1454. Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Frequence du vecteur en lecture: 1512. Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Frequence du vecteur en lecture: 1527. Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Frequence du vecteur en lecture: 1593. Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Frequence du vecteur en lecture: 1619. Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Frequence du vecteur en lecture: 1648. Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Frequence du vecteur en lecture: 1667. Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Frequence du vecteur en lecture: 1692. Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Frequence du vecteur en lecture: 1775. Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Frequence du vecteur en lecture: 1810. Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Frequence du vecteur en lecture: 1853. Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Frequence du vecteur en lecture: 1871. Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Frequence du vecteur en lecture: 1879. Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Frequence du vecteur en lecture: 1894. Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Frequence du vecteur en lecture: 1898. Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Frequence du vecteur en lecture: 1921. Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Frequence du vecteur en lecture: 1935. Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Frequence du vecteur en lecture: 1941. Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Frequence du vecteur en lecture: 1971. Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Frequence du vecteur en lecture: 1986. Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Frequence du vecteur en lecture: 2013. Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Frequence du vecteur en lecture: 2023. Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Frequence du vecteur en lecture: 2038. Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Frequence du vecteur en lecture: 2061. Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Frequence du vecteur en lecture: 2072. Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Frequence du vecteur en lecture: 2093. Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Frequence du vecteur en lecture: 2102. Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Frequence du vecteur en lecture: 2108. Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Frequence du vecteur en lecture: 2158. Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Frequence du vecteur en lecture: 2189. Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Frequence du vecteur en lecture: 2199. Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Frequence du vecteur en lecture: 2225. Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Frequence du vecteur en lecture: 2226. Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Frequence du vecteur en lecture: 2237. Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Frequence du vecteur en lecture: 2252. Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Frequence du vecteur en lecture: 2269. Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Frequence du vecteur en lecture: 2298. Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Frequence du vecteur en lecture: 2306. Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Frequence du vecteur en lecture: 2314. Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Frequence du vecteur en lecture: 2322. Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Frequence du vecteur en lecture: 2343. Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Frequence du vecteur en lecture: 2370. Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Frequence du vecteur en lecture: 2384. Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Frequence du vecteur en lecture: 2394. Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Frequence du vecteur en lecture: 2410. Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Frequence du vecteur en lecture: 2417. Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Frequence du vecteur en lecture: 2433. Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Frequence du vecteur en lecture: 2453. Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Frequence du vecteur en lecture: 2462. Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Frequence du vecteur en lecture: 2473. Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Frequence du vecteur en lecture: 2487. Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Frequence du vecteur en lecture: 2505. Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Frequence du vecteur en lecture: 2518. Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Frequence du vecteur en lecture: 2537. Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Frequence du vecteur en lecture: 2552. Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Frequence du vecteur en lecture: 2555. Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Frequence du vecteur en lecture: 2576. Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Frequence du vecteur en lecture: 2596. Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Frequence du vecteur en lecture: 2601. Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Frequence du vecteur en lecture: 2612. Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Frequence du vecteur en lecture: 2622. Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Frequence du vecteur en lecture: 2628. Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Frequence du vecteur en lecture: 2643. Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Frequence du vecteur en lecture: 2658. Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Frequence du vecteur en lecture: 2667. Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Frequence du vecteur en lecture: 2679. Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Frequence du vecteur en lecture: 2683. Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Frequence du vecteur en lecture: 2688. Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Frequence du vecteur en lecture: 2706. Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Frequence du vecteur en lecture: 2710. Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Frequence du vecteur en lecture: 2723. Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Frequence du vecteur en lecture: 2733. Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Frequence du vecteur en lecture: 2740. Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Frequence du vecteur en lecture: 2754. Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Frequence du vecteur en lecture: 2761. Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Frequence du vecteur en lecture: 2763. Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Frequence du vecteur en lecture: 2783. Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Frequence du vecteur en lecture: 2790. Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Frequence du vecteur en lecture: 2792. Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Frequence du vecteur en lecture: 2798. Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Frequence du vecteur en lecture: 2805. Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Frequence du vecteur en lecture: 2813. Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Frequence du vecteur en lecture: 2823. Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Frequence du vecteur en lecture: 2831. Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Frequence du vecteur en lecture: 2844. Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Frequence du vecteur en lecture: 2850. Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Frequence du vecteur en lecture: 2852. Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Frequence du vecteur en lecture: 2859. Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Frequence du vecteur en lecture: 2868. Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Frequence du vecteur en lecture: 2876. Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Frequence du vecteur en lecture: 2887. Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Frequence du vecteur en lecture: 2894. Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Frequence du vecteur en lecture: 2903. Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Frequence du vecteur en lecture: 2914. Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Frequence du vecteur en lecture: 2923. Chkmod> 106 vectors, 5670 coordinates in file. Chkmod> That is: 1890 cartesian points. Openam> file on opening on unit 11: Chkmod.res Chkmod> Collectivity=f(frequency) to be written in this file. %Chkmod-Wn> Norm of vector 9 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 17 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 25 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 36 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 42 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 88 is: 0.9999 (instead of 1.0000). %Chkmod-Wn> Norm of vector 97 is: 1.0001 (instead of 1.0000). %Chkmod-Wn> Norm of vector 102 is: 0.9999 (instead of 1.0000). Chkmod> Normal end. 0.0034 0.8480 0.0034 0.7718 0.0034 0.9986 0.0034 0.8848 0.0034 0.7437 0.0034 0.7638 1033.1726 0.0788 1098.2835 0.4005 1120.0759 0.0573 1240.4575 0.1711 1349.2744 0.3283 1454.4134 0.0776 1511.6579 0.2267 1527.1784 0.1839 1592.5638 0.1269 1618.9982 0.1100 1647.8725 0.1420 1666.7263 0.1275 1692.3508 0.1393 1774.6535 0.2378 1810.1764 0.1150 1852.9868 0.1620 1871.3493 0.0945 1878.5813 0.1242 1893.5852 0.0897 1897.9390 0.1324 1921.4017 0.0904 1934.5506 0.1702 1941.2435 0.1334 1970.7813 0.1074 1985.9792 0.1375 2012.5191 0.1556 2023.0375 0.3044 2037.5564 0.1920 2061.1461 0.1278 2072.2713 0.1233 2093.2181 0.2773 2102.4920 0.1813 2107.5333 0.1562 2157.8448 0.2008 2189.0389 0.3320 2198.7131 0.1371 2224.5702 0.2670 2226.4246 0.0667 2237.2550 0.1552 2251.9636 0.2666 2269.1763 0.2974 2297.8342 0.1886 2306.0298 0.1709 2314.1963 0.2018 2322.0803 0.3640 2343.0584 0.1772 2370.3260 0.3636 2383.9665 0.2337 2393.5918 0.2445 2409.5484 0.2583 2417.3653 0.1888 2433.4083 0.1082 2452.9541 0.2239 2462.3097 0.1568 2473.2990 0.1476 2487.0859 0.0991 2504.5658 0.2333 2517.7133 0.2048 2537.0743 0.1956 2552.3650 0.2474 2555.3660 0.2594 2575.5886 0.2608 2595.6537 0.2061 2600.8725 0.2439 2612.4074 0.2522 2622.0934 0.0980 2627.7084 0.1977 2643.1439 0.1941 2658.4898 0.1209 2666.6824 0.0689 2679.2544 0.2200 2683.2123 0.3137 2688.2611 0.1766 2705.9666 0.2742 2710.3206 0.2089 2722.9076 0.2289 2733.2806 0.2668 2739.9590 0.2691 2754.3376 0.3653 2760.5379 0.2557 2762.6727 0.1196 2782.6600 0.1073 2789.6428 0.1804 2791.7554 0.2073 2797.8728 0.2148 2805.2382 0.0660 2812.7938 0.1448 2822.8365 0.2062 2831.1783 0.2139 2844.4742 0.2935 2850.0648 0.2090 2852.3393 0.2688 2858.5333 0.2829 2867.7992 0.2450 2876.4205 0.2289 2886.8546 0.3037 2893.7897 0.3205 2903.3493 0.2172 2914.4962 0.2181 2922.5763 0.2114 getting mode 7 running: ../../bin/get_modes.sh 2602061617263047109 7 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.7.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2602061617263047109 8 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.8.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2602061617263047109 9 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.9.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2602061617263047109 10 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.10.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2602061617263047109 11 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.11.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 2602061617263047109 12 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.12.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 2602061617263047109 13 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.13.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 2602061617263047109 14 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.14.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 2602061617263047109 15 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.15.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 2602061617263047109 16 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.16.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 17 running: ../../bin/get_modes.sh 2602061617263047109 17 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 17 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.17.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 18 running: ../../bin/get_modes.sh 2602061617263047109 18 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 18 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.18.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 19 running: ../../bin/get_modes.sh 2602061617263047109 19 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 19 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.19.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 20 running: ../../bin/get_modes.sh 2602061617263047109 20 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 20 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.20.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 21 running: ../../bin/get_modes.sh 2602061617263047109 21 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 21 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.21.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 22 running: ../../bin/get_modes.sh 2602061617263047109 22 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 22 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.22.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 23 running: ../../bin/get_modes.sh 2602061617263047109 23 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 23 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.23.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 24 running: ../../bin/get_modes.sh 2602061617263047109 24 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 24 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.24.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 25 running: ../../bin/get_modes.sh 2602061617263047109 25 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 25 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.25.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 26 running: ../../bin/get_modes.sh 2602061617263047109 26 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 26 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.26.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 27 running: ../../bin/get_modes.sh 2602061617263047109 27 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 27 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.27.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 28 running: ../../bin/get_modes.sh 2602061617263047109 28 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 28 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.28.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 29 running: ../../bin/get_modes.sh 2602061617263047109 29 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 29 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.29.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 30 running: ../../bin/get_modes.sh 2602061617263047109 30 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 30 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.30.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 31 running: ../../bin/get_modes.sh 2602061617263047109 31 -100 100 50 on 0 normal mode computation generate a series of perturbations for mode 31 calculating perturbed structure for DQ=-100 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=-50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=0 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=50 2602061617263047109.eigenfacs 2602061617263047109.atom calculating perturbed structure for DQ=100 2602061617263047109.eigenfacs 2602061617263047109.atom making animated gifs 5 models are in 2602061617263047109.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 5 models are in 2602061617263047109.31.pdb, 0 models will be skipped MODEL 1 will be plotted MODEL 2 will be plotted MODEL 3 will be plotted MODEL 4 will be plotted MODEL 5 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 2602061617263047109.10.pdb 2602061617263047109.11.pdb 2602061617263047109.12.pdb 2602061617263047109.13.pdb 2602061617263047109.14.pdb 2602061617263047109.15.pdb 2602061617263047109.16.pdb 2602061617263047109.17.pdb 2602061617263047109.18.pdb 2602061617263047109.19.pdb 2602061617263047109.20.pdb 2602061617263047109.21.pdb 2602061617263047109.22.pdb 2602061617263047109.23.pdb 2602061617263047109.24.pdb 2602061617263047109.25.pdb 2602061617263047109.26.pdb 2602061617263047109.27.pdb 2602061617263047109.28.pdb 2602061617263047109.29.pdb 2602061617263047109.30.pdb 2602061617263047109.31.pdb 2602061617263047109.7.pdb 2602061617263047109.8.pdb 2602061617263047109.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m8.271s user 0m8.084s sys 0m0.184s rm: cannot remove '2602061617263047109.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




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: december 26th, 2025.