CNRS Nantes University US2B US2B
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***  S225L  ***

LOGs for ID: 2401220634152154140

output from eigenvector calculation:


STDOUT:
CUTOFF set to default value (CUTOFF=8) Build Tirion matrix: Pdbmat> Computes the Hessian matrix, using an Elastic Network Model. Pdbmat> Version 3.50, Fevrier 2004. Pdbmat> Options to be read in pdbmat.dat file. Pdbmat> Coordinate filename = 2401220634152154140.atom Pdbmat> Distance cutoff = 8.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2401220634152154140.atom to be opened. Openam> File opened: 2401220634152154140.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 = 1350 First residue number = 1 Last residue number = 675 Number of atoms found = 10478 Mean number per residue = 7.8 Pdbmat> Coordinate statistics: = 6.779529 +/- 28.285437 From: -61.281000 To: 75.688000 = 1.507104 +/- 21.733445 From: -68.250000 To: 53.875000 = -1.400639 +/- 16.250801 From: -42.750000 To: 50.938000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 0.7893 % Filled. Pdbmat> 3899525 non-zero elements. Pdbmat> 427144 atom-atom interactions. Pdbmat> Number per atom= 81.53 +/- 23.25 Maximum number = 131 Minimum number = 9 Pdbmat> Matrix trace = 8.542880E+06 Pdbmat> Larger element = 516.217 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1350 non-zero elements, NRBL set to 7 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 = 2401220634152154140.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 7 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 2401220634152154140.atom to be opened. Openam> file on opening on unit 11: 2401220634152154140.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 10478 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 7 residue(s) per block. Blocpdb> 1350 residues. Blocpdb> 44 atoms in block 1 Block first atom: 1 Blocpdb> 55 atoms in block 2 Block first atom: 45 Blocpdb> 59 atoms in block 3 Block first atom: 100 Blocpdb> 57 atoms in block 4 Block first atom: 159 Blocpdb> 60 atoms in block 5 Block first atom: 216 Blocpdb> 54 atoms in block 6 Block first atom: 276 Blocpdb> 62 atoms in block 7 Block first atom: 330 Blocpdb> 55 atoms in block 8 Block first atom: 392 Blocpdb> 49 atoms in block 9 Block first atom: 447 Blocpdb> 55 atoms in block 10 Block first atom: 496 Blocpdb> 55 atoms in block 11 Block first atom: 551 Blocpdb> 56 atoms in block 12 Block first atom: 606 Blocpdb> 47 atoms in block 13 Block first atom: 662 Blocpdb> 59 atoms in block 14 Block first atom: 709 Blocpdb> 50 atoms in block 15 Block first atom: 768 Blocpdb> 58 atoms in block 16 Block first atom: 818 Blocpdb> 56 atoms in block 17 Block first atom: 876 Blocpdb> 59 atoms in block 18 Block first atom: 932 Blocpdb> 67 atoms in block 19 Block first atom: 991 Blocpdb> 58 atoms in block 20 Block first atom: 1058 Blocpdb> 65 atoms in block 21 Block first atom: 1116 Blocpdb> 64 atoms in block 22 Block first atom: 1181 Blocpdb> 59 atoms in block 23 Block first atom: 1245 Blocpdb> 56 atoms in block 24 Block first atom: 1304 Blocpdb> 59 atoms in block 25 Block first atom: 1360 Blocpdb> 50 atoms in block 26 Block first atom: 1419 Blocpdb> 60 atoms in block 27 Block first atom: 1469 Blocpdb> 58 atoms in block 28 Block first atom: 1529 Blocpdb> 57 atoms in block 29 Block first atom: 1587 Blocpdb> 37 atoms in block 30 Block first atom: 1644 Blocpdb> 56 atoms in block 31 Block first atom: 1681 Blocpdb> 60 atoms in block 32 Block first atom: 1737 Blocpdb> 57 atoms in block 33 Block first atom: 1797 Blocpdb> 62 atoms in block 34 Block first atom: 1854 Blocpdb> 51 atoms in block 35 Block first atom: 1916 Blocpdb> 56 atoms in block 36 Block first atom: 1967 Blocpdb> 54 atoms in block 37 Block first atom: 2023 Blocpdb> 54 atoms in block 38 Block first atom: 2077 Blocpdb> 59 atoms in block 39 Block first atom: 2131 Blocpdb> 59 atoms in block 40 Block first atom: 2190 Blocpdb> 56 atoms in block 41 Block first atom: 2249 Blocpdb> 54 atoms in block 42 Block first atom: 2305 Blocpdb> 52 atoms in block 43 Block first atom: 2359 Blocpdb> 53 atoms in block 44 Block first atom: 2411 Blocpdb> 53 atoms in block 45 Block first atom: 2464 Blocpdb> 52 atoms in block 46 Block first atom: 2517 Blocpdb> 49 atoms in block 47 Block first atom: 2569 Blocpdb> 56 atoms in block 48 Block first atom: 2618 Blocpdb> 37 atoms in block 49 Block first atom: 2674 Blocpdb> 54 atoms in block 50 Block first atom: 2711 Blocpdb> 59 atoms in block 51 Block first atom: 2765 Blocpdb> 51 atoms in block 52 Block first atom: 2824 Blocpdb> 59 atoms in block 53 Block first atom: 2875 Blocpdb> 59 atoms in block 54 Block first atom: 2934 Blocpdb> 65 atoms in block 55 Block first atom: 2993 Blocpdb> 61 atoms in block 56 Block first atom: 3058 Blocpdb> 52 atoms in block 57 Block first atom: 3119 Blocpdb> 46 atoms in block 58 Block first atom: 3171 Blocpdb> 55 atoms in block 59 Block first atom: 3217 Blocpdb> 65 atoms in block 60 Block first atom: 3272 Blocpdb> 51 atoms in block 61 Block first atom: 3337 Blocpdb> 48 atoms in block 62 Block first atom: 3388 Blocpdb> 33 atoms in block 63 Block first atom: 3436 Blocpdb> 57 atoms in block 64 Block first atom: 3469 Blocpdb> 60 atoms in block 65 Block first atom: 3526 Blocpdb> 50 atoms in block 66 Block first atom: 3586 Blocpdb> 49 atoms in block 67 Block first atom: 3636 Blocpdb> 52 atoms in block 68 Block first atom: 3685 Blocpdb> 58 atoms in block 69 Block first atom: 3737 Blocpdb> 49 atoms in block 70 Block first atom: 3795 Blocpdb> 59 atoms in block 71 Block first atom: 3844 Blocpdb> 61 atoms in block 72 Block first atom: 3903 Blocpdb> 53 atoms in block 73 Block first atom: 3964 Blocpdb> 50 atoms in block 74 Block first atom: 4017 Blocpdb> 47 atoms in block 75 Block first atom: 4067 Blocpdb> 39 atoms in block 76 Block first atom: 4114 Blocpdb> 45 atoms in block 77 Block first atom: 4153 Blocpdb> 51 atoms in block 78 Block first atom: 4198 Blocpdb> 56 atoms in block 79 Block first atom: 4249 Blocpdb> 50 atoms in block 80 Block first atom: 4305 Blocpdb> 55 atoms in block 81 Block first atom: 4355 Blocpdb> 58 atoms in block 82 Block first atom: 4410 Blocpdb> 56 atoms in block 83 Block first atom: 4468 Blocpdb> 54 atoms in block 84 Block first atom: 4524 Blocpdb> 50 atoms in block 85 Block first atom: 4578 Blocpdb> 59 atoms in block 86 Block first atom: 4628 Blocpdb> 73 atoms in block 87 Block first atom: 4687 Blocpdb> 50 atoms in block 88 Block first atom: 4760 Blocpdb> 48 atoms in block 89 Block first atom: 4810 Blocpdb> 57 atoms in block 90 Block first atom: 4858 Blocpdb> 52 atoms in block 91 Block first atom: 4915 Blocpdb> 49 atoms in block 92 Block first atom: 4967 Blocpdb> 49 atoms in block 93 Block first atom: 5016 Blocpdb> 60 atoms in block 94 Block first atom: 5065 Blocpdb> 55 atoms in block 95 Block first atom: 5125 Blocpdb> 45 atoms in block 96 Block first atom: 5180 Blocpdb> 15 atoms in block 97 Block first atom: 5225 Blocpdb> 44 atoms in block 98 Block first atom: 5240 Blocpdb> 55 atoms in block 99 Block first atom: 5284 Blocpdb> 59 atoms in block 100 Block first atom: 5339 Blocpdb> 57 atoms in block 101 Block first atom: 5398 Blocpdb> 60 atoms in block 102 Block first atom: 5455 Blocpdb> 54 atoms in block 103 Block first atom: 5515 Blocpdb> 62 atoms in block 104 Block first atom: 5569 Blocpdb> 55 atoms in block 105 Block first atom: 5631 Blocpdb> 49 atoms in block 106 Block first atom: 5686 Blocpdb> 55 atoms in block 107 Block first atom: 5735 Blocpdb> 55 atoms in block 108 Block first atom: 5790 Blocpdb> 56 atoms in block 109 Block first atom: 5845 Blocpdb> 47 atoms in block 110 Block first atom: 5901 Blocpdb> 59 atoms in block 111 Block first atom: 5948 Blocpdb> 50 atoms in block 112 Block first atom: 6007 Blocpdb> 58 atoms in block 113 Block first atom: 6057 Blocpdb> 56 atoms in block 114 Block first atom: 6115 Blocpdb> 59 atoms in block 115 Block first atom: 6171 Blocpdb> 67 atoms in block 116 Block first atom: 6230 Blocpdb> 58 atoms in block 117 Block first atom: 6297 Blocpdb> 65 atoms in block 118 Block first atom: 6355 Blocpdb> 64 atoms in block 119 Block first atom: 6420 Blocpdb> 59 atoms in block 120 Block first atom: 6484 Blocpdb> 56 atoms in block 121 Block first atom: 6543 Blocpdb> 59 atoms in block 122 Block first atom: 6599 Blocpdb> 50 atoms in block 123 Block first atom: 6658 Blocpdb> 60 atoms in block 124 Block first atom: 6708 Blocpdb> 58 atoms in block 125 Block first atom: 6768 Blocpdb> 57 atoms in block 126 Block first atom: 6826 Blocpdb> 37 atoms in block 127 Block first atom: 6883 Blocpdb> 56 atoms in block 128 Block first atom: 6920 Blocpdb> 60 atoms in block 129 Block first atom: 6976 Blocpdb> 57 atoms in block 130 Block first atom: 7036 Blocpdb> 62 atoms in block 131 Block first atom: 7093 Blocpdb> 51 atoms in block 132 Block first atom: 7155 Blocpdb> 56 atoms in block 133 Block first atom: 7206 Blocpdb> 54 atoms in block 134 Block first atom: 7262 Blocpdb> 54 atoms in block 135 Block first atom: 7316 Blocpdb> 59 atoms in block 136 Block first atom: 7370 Blocpdb> 59 atoms in block 137 Block first atom: 7429 Blocpdb> 56 atoms in block 138 Block first atom: 7488 Blocpdb> 54 atoms in block 139 Block first atom: 7544 Blocpdb> 52 atoms in block 140 Block first atom: 7598 Blocpdb> 53 atoms in block 141 Block first atom: 7650 Blocpdb> 53 atoms in block 142 Block first atom: 7703 Blocpdb> 52 atoms in block 143 Block first atom: 7756 Blocpdb> 49 atoms in block 144 Block first atom: 7808 Blocpdb> 56 atoms in block 145 Block first atom: 7857 Blocpdb> 37 atoms in block 146 Block first atom: 7913 Blocpdb> 54 atoms in block 147 Block first atom: 7950 Blocpdb> 59 atoms in block 148 Block first atom: 8004 Blocpdb> 51 atoms in block 149 Block first atom: 8063 Blocpdb> 59 atoms in block 150 Block first atom: 8114 Blocpdb> 59 atoms in block 151 Block first atom: 8173 Blocpdb> 65 atoms in block 152 Block first atom: 8232 Blocpdb> 61 atoms in block 153 Block first atom: 8297 Blocpdb> 52 atoms in block 154 Block first atom: 8358 Blocpdb> 46 atoms in block 155 Block first atom: 8410 Blocpdb> 55 atoms in block 156 Block first atom: 8456 Blocpdb> 65 atoms in block 157 Block first atom: 8511 Blocpdb> 51 atoms in block 158 Block first atom: 8576 Blocpdb> 48 atoms in block 159 Block first atom: 8627 Blocpdb> 33 atoms in block 160 Block first atom: 8675 Blocpdb> 57 atoms in block 161 Block first atom: 8708 Blocpdb> 60 atoms in block 162 Block first atom: 8765 Blocpdb> 50 atoms in block 163 Block first atom: 8825 Blocpdb> 49 atoms in block 164 Block first atom: 8875 Blocpdb> 52 atoms in block 165 Block first atom: 8924 Blocpdb> 58 atoms in block 166 Block first atom: 8976 Blocpdb> 49 atoms in block 167 Block first atom: 9034 Blocpdb> 59 atoms in block 168 Block first atom: 9083 Blocpdb> 61 atoms in block 169 Block first atom: 9142 Blocpdb> 53 atoms in block 170 Block first atom: 9203 Blocpdb> 50 atoms in block 171 Block first atom: 9256 Blocpdb> 47 atoms in block 172 Block first atom: 9306 Blocpdb> 39 atoms in block 173 Block first atom: 9353 Blocpdb> 45 atoms in block 174 Block first atom: 9392 Blocpdb> 51 atoms in block 175 Block first atom: 9437 Blocpdb> 56 atoms in block 176 Block first atom: 9488 Blocpdb> 50 atoms in block 177 Block first atom: 9544 Blocpdb> 55 atoms in block 178 Block first atom: 9594 Blocpdb> 58 atoms in block 179 Block first atom: 9649 Blocpdb> 56 atoms in block 180 Block first atom: 9707 Blocpdb> 54 atoms in block 181 Block first atom: 9763 Blocpdb> 50 atoms in block 182 Block first atom: 9817 Blocpdb> 59 atoms in block 183 Block first atom: 9867 Blocpdb> 73 atoms in block 184 Block first atom: 9926 Blocpdb> 50 atoms in block 185 Block first atom: 9999 Blocpdb> 48 atoms in block 186 Block first atom: 10049 Blocpdb> 57 atoms in block 187 Block first atom: 10097 Blocpdb> 52 atoms in block 188 Block first atom: 10154 Blocpdb> 49 atoms in block 189 Block first atom: 10206 Blocpdb> 49 atoms in block 190 Block first atom: 10255 Blocpdb> 60 atoms in block 191 Block first atom: 10304 Blocpdb> 55 atoms in block 192 Block first atom: 10364 Blocpdb> 45 atoms in block 193 Block first atom: 10419 Blocpdb> 15 atoms in block 194 Block first atom: 10463 Blocpdb> 194 blocks. Blocpdb> At most, 73 atoms in each of them. Blocpdb> At least, 15 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> 3899719 matrix lines read. Prepmat> Matrix order = 31434 Prepmat> Matrix trace = 8542880.0000 Prepmat> Last element read: 31434 31434 22.1080 Prepmat> 18916 lines saved. Prepmat> 17441 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: 10478 RTB> Total mass = 10478.0000 RTB> Number of atoms found in matrix: 10478 RTB> Number of blocks = 194 RTB> Projection begins. RTB> Projected matrix is being saved. RTB> Projected matrix trace = 193549.8707 RTB> 50132 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 = 1164 Diagstd> Nb of non-zero elements: 50132 Diagstd> Projected matrix trace = 193549.8707 Openam> file on opening on unit 11: diagrtb_work.eigenfacs Diagstd> Diagonalization. Diagstd> 1164 eigenvectors are computed. Diagstd> 106 of them to be saved. Diagstd> Sum of eigenvalues = 193549.8707 Diagstd> Best zero-eigenvalue found : 0.000000 Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000 Diagstd> Selected eigenvalues: 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0000000 0.0274485 0.0300216 0.0446900 0.0622829 0.0690595 0.1295116 0.2643488 0.3275945 0.4249730 0.4615003 0.5738715 0.6034426 0.8269016 0.9595439 1.1741048 1.1879575 1.2870278 1.5123494 1.5950301 1.6921332 2.0342216 2.1406288 2.2460914 2.3909018 2.6385828 2.9826647 3.1513210 3.4086317 4.2731324 4.7570049 4.7686572 5.6949438 6.0701114 6.4364717 6.7247689 6.9754241 7.3335087 7.9072553 7.9661133 8.4565273 8.9645727 9.0436108 9.1078290 9.4047808 9.5173880 10.0586692 10.1182434 10.4063759 11.0149516 11.5453279 11.7527032 11.9214427 11.9958905 12.6139287 12.6815894 13.0671562 13.1801361 13.2784567 13.7812925 13.9393763 14.3442587 14.8440030 15.1561410 15.6236542 16.0250722 16.2483270 16.4143898 16.4519547 17.1134439 17.1614274 17.6528037 17.9181991 17.9496524 18.4025478 18.9098957 19.4812178 19.7069877 19.7600147 19.8778402 20.3198375 20.5557410 20.7161601 21.1087511 21.1232406 22.1056314 22.6700194 22.7481268 23.0024676 23.0765781 23.1981276 23.5083248 23.7886142 24.7181730 24.8678337 24.9862793 25.3005234 25.5434618 25.7091641 26.4762107 27.0201748 Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units): 0.0034318 0.0034325 0.0034329 0.0034334 0.0034340 0.0034345 17.9909701 18.8153357 22.9562128 27.1006557 28.5369036 39.0795581 55.8320948 62.1532166 70.7906560 73.7702557 82.2626314 84.3554694 98.7466120 106.3720937 117.6653814 118.3574851 123.1939120 133.5430688 137.1449175 141.2578383 154.8796687 158.8788050 162.7454999 167.9098415 176.3927161 187.5415475 192.7709550 200.4865866 224.4752459 236.8438333 237.1337295 259.1433108 267.5430122 275.4984824 281.6008502 286.8009529 294.0703143 305.3571975 306.4915599 315.7848621 325.1322714 326.5624241 327.7198258 333.0194647 335.0072204 344.4019039 345.4202884 350.3039502 360.4014889 368.9762527 372.2752502 374.9381987 376.1070962 385.6740917 386.7070805 392.5417211 394.2350446 395.7027618 403.1254861 405.4309988 411.2769170 418.3798858 422.7558233 429.2265618 434.7056422 437.7232405 439.9543855 440.4575243 449.2250734 449.8544119 456.2492104 459.6660819 460.0693506 465.8372979 472.2150746 479.2954776 482.0647805 482.7129078 484.1499346 489.5030423 492.3362895 494.2536775 498.9149871 499.0861899 510.5599475 517.0365270 517.9264614 520.8138127 521.6521305 523.0241554 526.5093911 529.6388717 539.8877378 541.5196959 542.8077951 546.2104861 548.8266068 550.6038682 558.7572803 564.4680400 Diagstd> Normal end. Rtb_to_modes> Entering in. Rtb_to_modes> Number of atoms in temporary block-file = 10478 Rtb_to_modes> Number of blocs = 194 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: 9.9874E-10 Rdmodfacs> Eigenvector number: 2 Rdmodfacs> Corresponding eigenvalue: 9.9916E-10 Rdmodfacs> Eigenvector number: 3 Rdmodfacs> Corresponding eigenvalue: 9.9939E-10 Rdmodfacs> Eigenvector number: 4 Rdmodfacs> Corresponding eigenvalue: 9.9965E-10 Rdmodfacs> Eigenvector number: 5 Rdmodfacs> Corresponding eigenvalue: 1.0000E-09 Rdmodfacs> Eigenvector number: 6 Rdmodfacs> Corresponding eigenvalue: 1.0003E-09 Rdmodfacs> Eigenvector number: 7 Rdmodfacs> Corresponding eigenvalue: 2.7448E-02 Rdmodfacs> Eigenvector number: 8 Rdmodfacs> Corresponding eigenvalue: 3.0022E-02 Rdmodfacs> Eigenvector number: 9 Rdmodfacs> Corresponding eigenvalue: 4.4690E-02 Rdmodfacs> Eigenvector number: 10 Rdmodfacs> Corresponding eigenvalue: 6.2283E-02 Rdmodfacs> Eigenvector number: 11 Rdmodfacs> Corresponding eigenvalue: 6.9059E-02 Rdmodfacs> Eigenvector number: 12 Rdmodfacs> Corresponding eigenvalue: 0.1295 Rdmodfacs> Eigenvector number: 13 Rdmodfacs> Corresponding eigenvalue: 0.2643 Rdmodfacs> Eigenvector number: 14 Rdmodfacs> Corresponding eigenvalue: 0.3276 Rdmodfacs> Eigenvector number: 15 Rdmodfacs> Corresponding eigenvalue: 0.4250 Rdmodfacs> Eigenvector number: 16 Rdmodfacs> Corresponding eigenvalue: 0.4615 Rdmodfacs> Eigenvector number: 17 Rdmodfacs> Corresponding eigenvalue: 0.5739 Rdmodfacs> Eigenvector number: 18 Rdmodfacs> Corresponding eigenvalue: 0.6034 Rdmodfacs> Eigenvector number: 19 Rdmodfacs> Corresponding eigenvalue: 0.8269 Rdmodfacs> Eigenvector number: 20 Rdmodfacs> Corresponding eigenvalue: 0.9595 Rdmodfacs> Eigenvector number: 21 Rdmodfacs> Corresponding eigenvalue: 1.174 Rdmodfacs> Eigenvector number: 22 Rdmodfacs> Corresponding eigenvalue: 1.188 Rdmodfacs> Eigenvector number: 23 Rdmodfacs> Corresponding eigenvalue: 1.287 Rdmodfacs> Eigenvector number: 24 Rdmodfacs> Corresponding eigenvalue: 1.512 Rdmodfacs> Eigenvector number: 25 Rdmodfacs> Corresponding eigenvalue: 1.595 Rdmodfacs> Eigenvector number: 26 Rdmodfacs> Corresponding eigenvalue: 1.692 Rdmodfacs> Eigenvector number: 27 Rdmodfacs> Corresponding eigenvalue: 2.034 Rdmodfacs> Eigenvector number: 28 Rdmodfacs> Corresponding eigenvalue: 2.141 Rdmodfacs> Eigenvector number: 29 Rdmodfacs> Corresponding eigenvalue: 2.246 Rdmodfacs> Eigenvector number: 30 Rdmodfacs> Corresponding eigenvalue: 2.391 Rdmodfacs> Eigenvector number: 31 Rdmodfacs> Corresponding eigenvalue: 2.639 Rdmodfacs> Eigenvector number: 32 Rdmodfacs> Corresponding eigenvalue: 2.983 Rdmodfacs> Eigenvector number: 33 Rdmodfacs> Corresponding eigenvalue: 3.151 Rdmodfacs> Eigenvector number: 34 Rdmodfacs> Corresponding eigenvalue: 3.409 Rdmodfacs> Eigenvector number: 35 Rdmodfacs> Corresponding eigenvalue: 4.273 Rdmodfacs> Eigenvector number: 36 Rdmodfacs> Corresponding eigenvalue: 4.757 Rdmodfacs> Eigenvector number: 37 Rdmodfacs> Corresponding eigenvalue: 4.769 Rdmodfacs> Eigenvector number: 38 Rdmodfacs> Corresponding eigenvalue: 5.695 Rdmodfacs> Eigenvector number: 39 Rdmodfacs> Corresponding eigenvalue: 6.070 Rdmodfacs> Eigenvector number: 40 Rdmodfacs> Corresponding eigenvalue: 6.436 Rdmodfacs> Eigenvector number: 41 Rdmodfacs> Corresponding eigenvalue: 6.725 Rdmodfacs> Eigenvector number: 42 Rdmodfacs> Corresponding eigenvalue: 6.975 Rdmodfacs> Eigenvector number: 43 Rdmodfacs> Corresponding eigenvalue: 7.334 Rdmodfacs> Eigenvector number: 44 Rdmodfacs> Corresponding eigenvalue: 7.907 Rdmodfacs> Eigenvector number: 45 Rdmodfacs> Corresponding eigenvalue: 7.966 Rdmodfacs> Eigenvector number: 46 Rdmodfacs> Corresponding eigenvalue: 8.457 Rdmodfacs> Eigenvector number: 47 Rdmodfacs> Corresponding eigenvalue: 8.965 Rdmodfacs> Eigenvector number: 48 Rdmodfacs> Corresponding eigenvalue: 9.044 Rdmodfacs> Eigenvector number: 49 Rdmodfacs> Corresponding eigenvalue: 9.108 Rdmodfacs> Eigenvector number: 50 Rdmodfacs> Corresponding eigenvalue: 9.405 Rdmodfacs> Eigenvector number: 51 Rdmodfacs> Corresponding eigenvalue: 9.517 Rdmodfacs> Eigenvector number: 52 Rdmodfacs> Corresponding eigenvalue: 10.06 Rdmodfacs> Eigenvector number: 53 Rdmodfacs> Corresponding eigenvalue: 10.12 Rdmodfacs> Eigenvector number: 54 Rdmodfacs> Corresponding eigenvalue: 10.41 Rdmodfacs> Eigenvector number: 55 Rdmodfacs> Corresponding eigenvalue: 11.01 Rdmodfacs> Eigenvector number: 56 Rdmodfacs> Corresponding eigenvalue: 11.55 Rdmodfacs> Eigenvector number: 57 Rdmodfacs> Corresponding eigenvalue: 11.75 Rdmodfacs> Eigenvector number: 58 Rdmodfacs> Corresponding eigenvalue: 11.92 Rdmodfacs> Eigenvector number: 59 Rdmodfacs> Corresponding eigenvalue: 12.00 Rdmodfacs> Eigenvector number: 60 Rdmodfacs> Corresponding eigenvalue: 12.61 Rdmodfacs> Eigenvector number: 61 Rdmodfacs> Corresponding eigenvalue: 12.68 Rdmodfacs> Eigenvector number: 62 Rdmodfacs> Corresponding eigenvalue: 13.07 Rdmodfacs> Eigenvector number: 63 Rdmodfacs> Corresponding eigenvalue: 13.18 Rdmodfacs> Eigenvector number: 64 Rdmodfacs> Corresponding eigenvalue: 13.28 Rdmodfacs> Eigenvector number: 65 Rdmodfacs> Corresponding eigenvalue: 13.78 Rdmodfacs> Eigenvector number: 66 Rdmodfacs> Corresponding eigenvalue: 13.94 Rdmodfacs> Eigenvector number: 67 Rdmodfacs> Corresponding eigenvalue: 14.34 Rdmodfacs> Eigenvector number: 68 Rdmodfacs> Corresponding eigenvalue: 14.84 Rdmodfacs> Eigenvector number: 69 Rdmodfacs> Corresponding eigenvalue: 15.16 Rdmodfacs> Eigenvector number: 70 Rdmodfacs> Corresponding eigenvalue: 15.62 Rdmodfacs> Eigenvector number: 71 Rdmodfacs> Corresponding eigenvalue: 16.03 Rdmodfacs> Eigenvector number: 72 Rdmodfacs> Corresponding eigenvalue: 16.25 Rdmodfacs> Eigenvector number: 73 Rdmodfacs> Corresponding eigenvalue: 16.41 Rdmodfacs> Eigenvector number: 74 Rdmodfacs> Corresponding eigenvalue: 16.45 Rdmodfacs> Eigenvector number: 75 Rdmodfacs> Corresponding eigenvalue: 17.11 Rdmodfacs> Eigenvector number: 76 Rdmodfacs> Corresponding eigenvalue: 17.16 Rdmodfacs> Eigenvector number: 77 Rdmodfacs> Corresponding eigenvalue: 17.65 Rdmodfacs> Eigenvector number: 78 Rdmodfacs> Corresponding eigenvalue: 17.92 Rdmodfacs> Eigenvector number: 79 Rdmodfacs> Corresponding eigenvalue: 17.95 Rdmodfacs> Eigenvector number: 80 Rdmodfacs> Corresponding eigenvalue: 18.40 Rdmodfacs> Eigenvector number: 81 Rdmodfacs> Corresponding eigenvalue: 18.91 Rdmodfacs> Eigenvector number: 82 Rdmodfacs> Corresponding eigenvalue: 19.48 Rdmodfacs> Eigenvector number: 83 Rdmodfacs> Corresponding eigenvalue: 19.71 Rdmodfacs> Eigenvector number: 84 Rdmodfacs> Corresponding eigenvalue: 19.76 Rdmodfacs> Eigenvector number: 85 Rdmodfacs> Corresponding eigenvalue: 19.88 Rdmodfacs> Eigenvector number: 86 Rdmodfacs> Corresponding eigenvalue: 20.32 Rdmodfacs> Eigenvector number: 87 Rdmodfacs> Corresponding eigenvalue: 20.56 Rdmodfacs> Eigenvector number: 88 Rdmodfacs> Corresponding eigenvalue: 20.72 Rdmodfacs> Eigenvector number: 89 Rdmodfacs> Corresponding eigenvalue: 21.11 Rdmodfacs> Eigenvector number: 90 Rdmodfacs> Corresponding eigenvalue: 21.12 Rdmodfacs> Eigenvector number: 91 Rdmodfacs> Corresponding eigenvalue: 22.11 Rdmodfacs> Eigenvector number: 92 Rdmodfacs> Corresponding eigenvalue: 22.67 Rdmodfacs> Eigenvector number: 93 Rdmodfacs> Corresponding eigenvalue: 22.75 Rdmodfacs> Eigenvector number: 94 Rdmodfacs> Corresponding eigenvalue: 23.00 Rdmodfacs> Eigenvector number: 95 Rdmodfacs> Corresponding eigenvalue: 23.08 Rdmodfacs> Eigenvector number: 96 Rdmodfacs> Corresponding eigenvalue: 23.20 Rdmodfacs> Eigenvector number: 97 Rdmodfacs> Corresponding eigenvalue: 23.51 Rdmodfacs> Eigenvector number: 98 Rdmodfacs> Corresponding eigenvalue: 23.79 Rdmodfacs> Eigenvector number: 99 Rdmodfacs> Corresponding eigenvalue: 24.72 Rdmodfacs> Eigenvector number: 100 Rdmodfacs> Corresponding eigenvalue: 24.87 Rdmodfacs> Eigenvector number: 101 Rdmodfacs> Corresponding eigenvalue: 24.99 Rdmodfacs> Eigenvector number: 102 Rdmodfacs> Corresponding eigenvalue: 25.30 Rdmodfacs> Eigenvector number: 103 Rdmodfacs> Corresponding eigenvalue: 25.54 Rdmodfacs> Eigenvector number: 104 Rdmodfacs> Corresponding eigenvalue: 25.71 Rdmodfacs> Eigenvector number: 105 Rdmodfacs> Corresponding eigenvalue: 26.48 Rdmodfacs> Eigenvector number: 106 Rdmodfacs> Corresponding eigenvalue: 27.02 Rtb_to_modes> 106 vectors, with 1164 coordinates in vector file. Norm of eigenvectors in projected coordinates (one expected): 1.00000 0.99999 1.00000 1.00001 0.99999 1.00000 0.99996 0.99999 1.00000 0.99998 0.99999 1.00001 1.00000 1.00001 0.99998 1.00001 1.00000 0.99998 0.99998 0.99994 1.00000 1.00003 0.99999 0.99999 0.99999 0.99999 1.00000 1.00004 1.00002 1.00001 1.00001 0.99996 1.00000 1.00000 0.99999 1.00000 1.00003 0.99999 1.00002 0.99997 1.00002 1.00000 1.00000 0.99999 1.00000 0.99999 1.00000 1.00000 0.99999 0.99998 1.00005 1.00000 0.99998 0.99996 1.00004 0.99997 0.99999 0.99999 0.99999 1.00002 0.99998 0.99999 1.00001 1.00002 1.00001 1.00000 0.99998 1.00001 1.00001 1.00001 1.00000 1.00000 1.00001 0.99998 1.00003 0.99999 1.00000 0.99998 1.00001 0.99999 1.00000 1.00001 1.00000 1.00003 0.99997 1.00000 0.99999 0.99999 1.00001 1.00001 1.00001 1.00001 1.00003 0.99998 0.99999 0.99999 0.99999 1.00000 1.00001 1.00000 1.00000 1.00000 1.00000 1.00000 0.99999 1.00001 Rtb_to_modes> RTB block-file is being read. Rtb_to_modes> 188604 lines found in RTB file. Norm of eigenvectors in cartesian coordinates (one expected): 1.00000 0.99999 1.00000 1.00001 0.99999 1.00000 0.99996 0.99999 1.00000 0.99998 0.99999 1.00001 1.00000 1.00001 0.99998 1.00001 1.00000 0.99998 0.99998 0.99994 1.00000 1.00003 0.99999 0.99999 0.99999 0.99999 1.00000 1.00004 1.00002 1.00001 1.00001 0.99996 1.00000 1.00000 0.99999 1.00000 1.00003 0.99999 1.00002 0.99997 1.00002 1.00000 1.00000 0.99999 1.00000 0.99999 1.00000 1.00000 0.99999 0.99998 1.00005 1.00000 0.99998 0.99996 1.00004 0.99997 0.99999 0.99999 0.99999 1.00002 0.99998 0.99999 1.00001 1.00002 1.00001 1.00000 0.99998 1.00001 1.00001 1.00001 1.00000 1.00000 1.00001 0.99998 1.00003 0.99999 1.00000 0.99998 1.00001 0.99999 1.00000 1.00001 1.00000 1.00003 0.99997 1.00000 0.99999 0.99999 1.00001 1.00001 1.00001 1.00001 1.00003 0.99998 0.99999 0.99999 0.99999 1.00000 1.00001 1.00000 1.00000 1.00000 1.00000 1.00000 0.99999 1.00001 Orthogonality of first eigenvectors (zero expected): Vector 2:-0.000 Vector 3: 0.000 0.000 Vector 4: 0.000-0.000-0.000 Vector 5: 0.000 0.000 0.000 0.000 Vector 6:-0.000 0.000-0.000 0.000 0.000 Vector 7: 0.000-0.000 0.000-0.000 0.000 0.000 Vector 8:-0.000-0.000 0.000 0.000-0.000-0.000 0.000 Vector 9: 0.000 0.000 0.000-0.000 0.000 0.000-0.000-0.000 Vector 10: 0.000 0.000-0.000-0.000 0.000 0.000-0.000-0.000 0.000 Rtb_to_modes> 106 eigenvectors saved. Rtb_to_modes> Normal end. Diagrtb> Normal end. B-factor analysis Bfactors> Version 1.22, Bordeaux. Getnam> Eigenvector filename ? Getnam> 2401220634152154140.eigenfacs Openam> file on opening on unit 10: 2401220634152154140.eigenfacs Getnam> Corresponding pdb filename ? Getnam> 2401220634152154140.atom Openam> file on opening on unit 11: 2401220634152154140.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 = 1350 First residue number = 1 Last residue number = 675 Number of atoms found = 10478 Mean number per residue = 7.8 Rdmodfacs> Old Blzpack file format detected. Rdmodfacs> Numero du vecteur CERFACS en lecture: 1 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9874E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 2 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9916E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 3 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9939E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 4 Rdmodfacs> Valeur propre du vecteur en lecture: 9.9965E-10 Rdmodfacs> Numero du vecteur CERFACS en lecture: 5 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 6 Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09 Rdmodfacs> Numero du vecteur CERFACS en lecture: 7 Rdmodfacs> Valeur propre du vecteur en lecture: 2.7448E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 8 Rdmodfacs> Valeur propre du vecteur en lecture: 3.0022E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 9 Rdmodfacs> Valeur propre du vecteur en lecture: 4.4690E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 10 Rdmodfacs> Valeur propre du vecteur en lecture: 6.2283E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 11 Rdmodfacs> Valeur propre du vecteur en lecture: 6.9059E-02 Rdmodfacs> Numero du vecteur CERFACS en lecture: 12 Rdmodfacs> Valeur propre du vecteur en lecture: 0.1295 Rdmodfacs> Numero du vecteur CERFACS en lecture: 13 Rdmodfacs> Valeur propre du vecteur en lecture: 0.2643 Rdmodfacs> Numero du vecteur CERFACS en lecture: 14 Rdmodfacs> Valeur propre du vecteur en lecture: 0.3276 Rdmodfacs> Numero du vecteur CERFACS en lecture: 15 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4250 Rdmodfacs> Numero du vecteur CERFACS en lecture: 16 Rdmodfacs> Valeur propre du vecteur en lecture: 0.4615 Rdmodfacs> Numero du vecteur CERFACS en lecture: 17 Rdmodfacs> Valeur propre du vecteur en lecture: 0.5739 Rdmodfacs> Numero du vecteur CERFACS en lecture: 18 Rdmodfacs> Valeur propre du vecteur en lecture: 0.6034 Rdmodfacs> Numero du vecteur CERFACS en lecture: 19 Rdmodfacs> Valeur propre du vecteur en lecture: 0.8269 Rdmodfacs> Numero du vecteur CERFACS en lecture: 20 Rdmodfacs> Valeur propre du vecteur en lecture: 0.9595 Rdmodfacs> Numero du vecteur CERFACS en lecture: 21 Rdmodfacs> Valeur propre du vecteur en lecture: 1.174 Rdmodfacs> Numero du vecteur CERFACS en lecture: 22 Rdmodfacs> Valeur propre du vecteur en lecture: 1.188 Rdmodfacs> Numero du vecteur CERFACS en lecture: 23 Rdmodfacs> Valeur propre du vecteur en lecture: 1.287 Rdmodfacs> Numero du vecteur CERFACS en lecture: 24 Rdmodfacs> Valeur propre du vecteur en lecture: 1.512 Rdmodfacs> Numero du vecteur CERFACS en lecture: 25 Rdmodfacs> Valeur propre du vecteur en lecture: 1.595 Rdmodfacs> Numero du vecteur CERFACS en lecture: 26 Rdmodfacs> Valeur propre du vecteur en lecture: 1.692 Rdmodfacs> Numero du vecteur CERFACS en lecture: 27 Rdmodfacs> Valeur propre du vecteur en lecture: 2.034 Rdmodfacs> Numero du vecteur CERFACS en lecture: 28 Rdmodfacs> Valeur propre du vecteur en lecture: 2.141 Rdmodfacs> Numero du vecteur CERFACS en lecture: 29 Rdmodfacs> Valeur propre du vecteur en lecture: 2.246 Rdmodfacs> Numero du vecteur CERFACS en lecture: 30 Rdmodfacs> Valeur propre du vecteur en lecture: 2.391 Rdmodfacs> Numero du vecteur CERFACS en lecture: 31 Rdmodfacs> Valeur propre du vecteur en lecture: 2.639 Rdmodfacs> Numero du vecteur CERFACS en lecture: 32 Rdmodfacs> Valeur propre du vecteur en lecture: 2.983 Rdmodfacs> Numero du vecteur CERFACS en lecture: 33 Rdmodfacs> Valeur propre du vecteur en lecture: 3.151 Rdmodfacs> Numero du vecteur CERFACS en lecture: 34 Rdmodfacs> Valeur propre du vecteur en lecture: 3.409 Rdmodfacs> Numero du vecteur CERFACS en lecture: 35 Rdmodfacs> Valeur propre du vecteur en lecture: 4.273 Rdmodfacs> Numero du vecteur CERFACS en lecture: 36 Rdmodfacs> Valeur propre du vecteur en lecture: 4.757 Rdmodfacs> Numero du vecteur CERFACS en lecture: 37 Rdmodfacs> Valeur propre du vecteur en lecture: 4.769 Rdmodfacs> Numero du vecteur CERFACS en lecture: 38 Rdmodfacs> Valeur propre du vecteur en lecture: 5.695 Rdmodfacs> Numero du vecteur CERFACS en lecture: 39 Rdmodfacs> Valeur propre du vecteur en lecture: 6.070 Rdmodfacs> Numero du vecteur CERFACS en lecture: 40 Rdmodfacs> Valeur propre du vecteur en lecture: 6.436 Rdmodfacs> Numero du vecteur CERFACS en lecture: 41 Rdmodfacs> Valeur propre du vecteur en lecture: 6.725 Rdmodfacs> Numero du vecteur CERFACS en lecture: 42 Rdmodfacs> Valeur propre du vecteur en lecture: 6.975 Rdmodfacs> Numero du vecteur CERFACS en lecture: 43 Rdmodfacs> Valeur propre du vecteur en lecture: 7.334 Rdmodfacs> Numero du vecteur CERFACS en lecture: 44 Rdmodfacs> Valeur propre du vecteur en lecture: 7.907 Rdmodfacs> Numero du vecteur CERFACS en lecture: 45 Rdmodfacs> Valeur propre du vecteur en lecture: 7.966 Rdmodfacs> Numero du vecteur CERFACS en lecture: 46 Rdmodfacs> Valeur propre du vecteur en lecture: 8.457 Rdmodfacs> Numero du vecteur CERFACS en lecture: 47 Rdmodfacs> Valeur propre du vecteur en lecture: 8.965 Rdmodfacs> Numero du vecteur CERFACS en lecture: 48 Rdmodfacs> Valeur propre du vecteur en lecture: 9.044 Rdmodfacs> Numero du vecteur CERFACS en lecture: 49 Rdmodfacs> Valeur propre du vecteur en lecture: 9.108 Rdmodfacs> Numero du vecteur CERFACS en lecture: 50 Rdmodfacs> Valeur propre du vecteur en lecture: 9.405 Rdmodfacs> Numero du vecteur CERFACS en lecture: 51 Rdmodfacs> Valeur propre du vecteur en lecture: 9.517 Rdmodfacs> Numero du vecteur CERFACS en lecture: 52 Rdmodfacs> Valeur propre du vecteur en lecture: 10.06 Rdmodfacs> Numero du vecteur CERFACS en lecture: 53 Rdmodfacs> Valeur propre du vecteur en lecture: 10.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 54 Rdmodfacs> Valeur propre du vecteur en lecture: 10.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 55 Rdmodfacs> Valeur propre du vecteur en lecture: 11.01 Rdmodfacs> Numero du vecteur CERFACS en lecture: 56 Rdmodfacs> Valeur propre du vecteur en lecture: 11.55 Rdmodfacs> Numero du vecteur CERFACS en lecture: 57 Rdmodfacs> Valeur propre du vecteur en lecture: 11.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 58 Rdmodfacs> Valeur propre du vecteur en lecture: 11.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 59 Rdmodfacs> Valeur propre du vecteur en lecture: 12.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 60 Rdmodfacs> Valeur propre du vecteur en lecture: 12.61 Rdmodfacs> Numero du vecteur CERFACS en lecture: 61 Rdmodfacs> Valeur propre du vecteur en lecture: 12.68 Rdmodfacs> Numero du vecteur CERFACS en lecture: 62 Rdmodfacs> Valeur propre du vecteur en lecture: 13.07 Rdmodfacs> Numero du vecteur CERFACS en lecture: 63 Rdmodfacs> Valeur propre du vecteur en lecture: 13.18 Rdmodfacs> Numero du vecteur CERFACS en lecture: 64 Rdmodfacs> Valeur propre du vecteur en lecture: 13.28 Rdmodfacs> Numero du vecteur CERFACS en lecture: 65 Rdmodfacs> Valeur propre du vecteur en lecture: 13.78 Rdmodfacs> Numero du vecteur CERFACS en lecture: 66 Rdmodfacs> Valeur propre du vecteur en lecture: 13.94 Rdmodfacs> Numero du vecteur CERFACS en lecture: 67 Rdmodfacs> Valeur propre du vecteur en lecture: 14.34 Rdmodfacs> Numero du vecteur CERFACS en lecture: 68 Rdmodfacs> Valeur propre du vecteur en lecture: 14.84 Rdmodfacs> Numero du vecteur CERFACS en lecture: 69 Rdmodfacs> Valeur propre du vecteur en lecture: 15.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 70 Rdmodfacs> Valeur propre du vecteur en lecture: 15.62 Rdmodfacs> Numero du vecteur CERFACS en lecture: 71 Rdmodfacs> Valeur propre du vecteur en lecture: 16.03 Rdmodfacs> Numero du vecteur CERFACS en lecture: 72 Rdmodfacs> Valeur propre du vecteur en lecture: 16.25 Rdmodfacs> Numero du vecteur CERFACS en lecture: 73 Rdmodfacs> Valeur propre du vecteur en lecture: 16.41 Rdmodfacs> Numero du vecteur CERFACS en lecture: 74 Rdmodfacs> Valeur propre du vecteur en lecture: 16.45 Rdmodfacs> Numero du vecteur CERFACS en lecture: 75 Rdmodfacs> Valeur propre du vecteur en lecture: 17.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 76 Rdmodfacs> Valeur propre du vecteur en lecture: 17.16 Rdmodfacs> Numero du vecteur CERFACS en lecture: 77 Rdmodfacs> Valeur propre du vecteur en lecture: 17.65 Rdmodfacs> Numero du vecteur CERFACS en lecture: 78 Rdmodfacs> Valeur propre du vecteur en lecture: 17.92 Rdmodfacs> Numero du vecteur CERFACS en lecture: 79 Rdmodfacs> Valeur propre du vecteur en lecture: 17.95 Rdmodfacs> Numero du vecteur CERFACS en lecture: 80 Rdmodfacs> Valeur propre du vecteur en lecture: 18.40 Rdmodfacs> Numero du vecteur CERFACS en lecture: 81 Rdmodfacs> Valeur propre du vecteur en lecture: 18.91 Rdmodfacs> Numero du vecteur CERFACS en lecture: 82 Rdmodfacs> Valeur propre du vecteur en lecture: 19.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 83 Rdmodfacs> Valeur propre du vecteur en lecture: 19.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 84 Rdmodfacs> Valeur propre du vecteur en lecture: 19.76 Rdmodfacs> Numero du vecteur CERFACS en lecture: 85 Rdmodfacs> Valeur propre du vecteur en lecture: 19.88 Rdmodfacs> Numero du vecteur CERFACS en lecture: 86 Rdmodfacs> Valeur propre du vecteur en lecture: 20.32 Rdmodfacs> Numero du vecteur CERFACS en lecture: 87 Rdmodfacs> Valeur propre du vecteur en lecture: 20.56 Rdmodfacs> Numero du vecteur CERFACS en lecture: 88 Rdmodfacs> Valeur propre du vecteur en lecture: 20.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 89 Rdmodfacs> Valeur propre du vecteur en lecture: 21.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 90 Rdmodfacs> Valeur propre du vecteur en lecture: 21.12 Rdmodfacs> Numero du vecteur CERFACS en lecture: 91 Rdmodfacs> Valeur propre du vecteur en lecture: 22.11 Rdmodfacs> Numero du vecteur CERFACS en lecture: 92 Rdmodfacs> Valeur propre du vecteur en lecture: 22.67 Rdmodfacs> Numero du vecteur CERFACS en lecture: 93 Rdmodfacs> Valeur propre du vecteur en lecture: 22.75 Rdmodfacs> Numero du vecteur CERFACS en lecture: 94 Rdmodfacs> Valeur propre du vecteur en lecture: 23.00 Rdmodfacs> Numero du vecteur CERFACS en lecture: 95 Rdmodfacs> Valeur propre du vecteur en lecture: 23.08 Rdmodfacs> Numero du vecteur CERFACS en lecture: 96 Rdmodfacs> Valeur propre du vecteur en lecture: 23.20 Rdmodfacs> Numero du vecteur CERFACS en lecture: 97 Rdmodfacs> Valeur propre du vecteur en lecture: 23.51 Rdmodfacs> Numero du vecteur CERFACS en lecture: 98 Rdmodfacs> Valeur propre du vecteur en lecture: 23.79 Rdmodfacs> Numero du vecteur CERFACS en lecture: 99 Rdmodfacs> Valeur propre du vecteur en lecture: 24.72 Rdmodfacs> Numero du vecteur CERFACS en lecture: 100 Rdmodfacs> Valeur propre du vecteur en lecture: 24.87 Rdmodfacs> Numero du vecteur CERFACS en lecture: 101 Rdmodfacs> Valeur propre du vecteur en lecture: 24.99 Rdmodfacs> Numero du vecteur CERFACS en lecture: 102 Rdmodfacs> Valeur propre du vecteur en lecture: 25.30 Rdmodfacs> Numero du vecteur CERFACS en lecture: 103 Rdmodfacs> Valeur propre du vecteur en lecture: 25.54 Rdmodfacs> Numero du vecteur CERFACS en lecture: 104 Rdmodfacs> Valeur propre du vecteur en lecture: 25.71 Rdmodfacs> Numero du vecteur CERFACS en lecture: 105 Rdmodfacs> Valeur propre du vecteur en lecture: 26.48 Rdmodfacs> Numero du vecteur CERFACS en lecture: 106 Rdmodfacs> Valeur propre du vecteur en lecture: 27.02 Bfactors> 106 vectors, 31434 coordinates in file. Openam> file on opening on unit 12: bfactors.pred Bfactors> Best zero-eigenvalue found : 0.000000 Bfactors> 6 eigenvalues less than : 0.000000 Bfactors> Lowest non-zero eigenvalue : 0.027448 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= -0.312 for 1350 C-alpha atoms. Bfactors> = 0.294 +/- 2.47 Bfactors> = 77.650 +/- 15.57 Bfactors> Shiftng-fct= 77.356 Bfactors> Scaling-fct= 6.294 Bfactors> Predicted, Scaled and Experimental B-factors are saved. Bfactors> Normal end. check_modes getting mode 7 running: ../../bin/get_modes.sh 2401220634152154140 7 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 7 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.7.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 8 running: ../../bin/get_modes.sh 2401220634152154140 8 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 8 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.8.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 9 running: ../../bin/get_modes.sh 2401220634152154140 9 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 9 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.9.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 10 running: ../../bin/get_modes.sh 2401220634152154140 10 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 10 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.10.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 11 running: ../../bin/get_modes.sh 2401220634152154140 11 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 11 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.11.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 12 running: ../../bin/get_modes.sh 2401220634152154140 12 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 12 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.12.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 13 running: ../../bin/get_modes.sh 2401220634152154140 13 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 13 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.13.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 14 running: ../../bin/get_modes.sh 2401220634152154140 14 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 14 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.14.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 15 running: ../../bin/get_modes.sh 2401220634152154140 15 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 15 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.15.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 getting mode 16 running: ../../bin/get_modes.sh 2401220634152154140 16 -500 500 20 on 0 normal mode computation generate a series of perturbations for mode 16 calculating perturbed structure for DQ=-500 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=-20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=0 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=20 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=40 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=60 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=80 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=100 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=120 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=140 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=160 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=180 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=200 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=220 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=240 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=260 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=280 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=300 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=320 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=340 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=360 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=380 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=400 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=420 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=440 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=460 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=480 2401220634152154140.eigenfacs 2401220634152154140.atom calculating perturbed structure for DQ=500 2401220634152154140.eigenfacs 2401220634152154140.atom WARNING: max number of models (51) reached no more models will be calculated for this mode making animated gifs 51 models are in 2401220634152154140.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 51 models are in 2401220634152154140.16.pdb, 9 models will be skipped MODEL 1 will be plotted MODEL 11 will be plotted MODEL 21 will be plotted MODEL 31 will be plotted MODEL 41 will be plotted MODEL 51 will be plotted making thumbnail 100x100 making small animated gif 100x100 making animated gif 300x300 2401220634152154140.10.pdb 2401220634152154140.11.pdb 2401220634152154140.12.pdb 2401220634152154140.13.pdb 2401220634152154140.14.pdb 2401220634152154140.15.pdb 2401220634152154140.16.pdb 2401220634152154140.7.pdb 2401220634152154140.8.pdb 2401220634152154140.9.pdb STDERR: Note: The following floating-point exceptions are signalling: IEEE_DENORMAL real 0m56.547s user 0m56.390s sys 0m0.156s ../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory mv: cannot stat 'Chkmod.res': No such file or directory cat: 2401220634152154140.Chkmod.res: No such file or directory pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing 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pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: Writing ppmraw format pstopnm: 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Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.