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***  vilina_tentativa2  ***

LOGs for ID: 210622151615106798

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 = 210622151615106798.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 210622151615106798.atom to be opened. Openam> File opened: 210622151615106798.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 = 2624 First residue number = 13 Last residue number = 76 Number of atoms found = 42107 Mean number per residue = 16.0 Pdbmat> Coordinate statistics: = 0.015241 +/- 8.120939 From: -21.550000 To: 45.524000 = 0.001507 +/- 5.193568 From: -26.221000 To: 15.129000 = 0.028712 +/- 6.124634 From: -21.582000 To: 17.399000 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 ******** % Filled. Pdbmat> 1071163854 non-zero elements. Pdbmat> 119015403 atom-atom interactions. Pdbmat> Number per atom= 5653.00 +/- 1967.84 Maximum number = 9958 Minimum number = 4 Pdbmat> Matrix trace = 2.380308E+09 Pdbmat> Larger element = 35269.1 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 2624 non-zero elements, NRBL set to 14 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 = 210622151615106798.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 14 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 210622151615106798.atom to be opened. Openam> file on opening on unit 11: 210622151615106798.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 42107 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 14 residue(s) per block. Blocpdb> 2624 residues. Blocpdb> 214 atoms in block 1 Block first atom: 1 Blocpdb> 219 atoms in block 2 Block first atom: 215 Blocpdb> 212 atoms in block 3 Block first atom: 434 Blocpdb> 235 atoms in block 4 Block first atom: 646 Blocpdb> 147 atoms in block 5 Block first atom: 881 Blocpdb> 214 atoms in block 6 Block first atom: 1028 Blocpdb> 219 atoms in block 7 Block first atom: 1242 Blocpdb> 212 atoms in block 8 Block first atom: 1461 Blocpdb> 235 atoms in block 9 Block first atom: 1673 Blocpdb> 147 atoms in block 10 Block first atom: 1908 Blocpdb> 214 atoms in block 11 Block first atom: 2055 Blocpdb> 219 atoms in block 12 Block first atom: 2269 Blocpdb> 212 atoms in block 13 Block first atom: 2488 Blocpdb> 235 atoms in block 14 Block first atom: 2700 Blocpdb> 147 atoms in block 15 Block first atom: 2935 Blocpdb> 214 atoms in block 16 Block first atom: 3082 Blocpdb> 219 atoms in block 17 Block first atom: 3296 Blocpdb> 212 atoms in block 18 Block first atom: 3515 Blocpdb> 235 atoms in block 19 Block first atom: 3727 Blocpdb> 147 atoms in block 20 Block first atom: 3962 Blocpdb> 214 atoms in block 21 Block first atom: 4109 Blocpdb> 219 atoms in block 22 Block first atom: 4323 Blocpdb> 212 atoms in block 23 Block first atom: 4542 Blocpdb> 235 atoms in block 24 Block first atom: 4754 Blocpdb> 147 atoms in block 25 Block first atom: 4989 Blocpdb> 214 atoms in block 26 Block first atom: 5136 Blocpdb> 219 atoms in block 27 Block first atom: 5350 Blocpdb> 212 atoms in block 28 Block first atom: 5569 Blocpdb> 235 atoms in block 29 Block first atom: 5781 Blocpdb> 147 atoms in block 30 Block first atom: 6016 Blocpdb> 214 atoms in block 31 Block first atom: 6163 Blocpdb> 219 atoms in block 32 Block first atom: 6377 Blocpdb> 212 atoms in block 33 Block first atom: 6596 Blocpdb> 235 atoms in block 34 Block first atom: 6808 Blocpdb> 147 atoms in block 35 Block first atom: 7043 Blocpdb> 214 atoms in block 36 Block first atom: 7190 Blocpdb> 219 atoms in block 37 Block first atom: 7404 Blocpdb> 212 atoms in block 38 Block first atom: 7623 Blocpdb> 235 atoms in block 39 Block first atom: 7835 Blocpdb> 147 atoms in block 40 Block first atom: 8070 Blocpdb> 214 atoms in block 41 Block first atom: 8217 Blocpdb> 219 atoms in block 42 Block first atom: 8431 Blocpdb> 212 atoms in block 43 Block first atom: 8650 Blocpdb> 235 atoms in block 44 Block first atom: 8862 Blocpdb> 147 atoms in block 45 Block first atom: 9097 Blocpdb> 214 atoms in block 46 Block first atom: 9244 Blocpdb> 219 atoms in block 47 Block first atom: 9458 Blocpdb> 212 atoms in block 48 Block first atom: 9677 Blocpdb> 235 atoms in block 49 Block first atom: 9889 Blocpdb> 147 atoms in block 50 Block first atom: 10124 Blocpdb> 214 atoms in block 51 Block first atom: 10271 Blocpdb> 219 atoms in block 52 Block first atom: 10485 Blocpdb> 212 atoms in block 53 Block first atom: 10704 Blocpdb> 235 atoms in block 54 Block first atom: 10916 Blocpdb> 147 atoms in block 55 Block first atom: 11151 Blocpdb> 214 atoms in block 56 Block first atom: 11298 Blocpdb> 219 atoms in block 57 Block first atom: 11512 Blocpdb> 212 atoms in block 58 Block first atom: 11731 Blocpdb> 235 atoms in block 59 Block first atom: 11943 Blocpdb> 147 atoms in block 60 Block first atom: 12178 Blocpdb> 214 atoms in block 61 Block first atom: 12325 Blocpdb> 219 atoms in block 62 Block first atom: 12539 Blocpdb> 212 atoms in block 63 Block first atom: 12758 Blocpdb> 235 atoms in block 64 Block first atom: 12970 Blocpdb> 147 atoms in block 65 Block first atom: 13205 Blocpdb> 214 atoms in block 66 Block first atom: 13352 Blocpdb> 219 atoms in block 67 Block first atom: 13566 Blocpdb> 212 atoms in block 68 Block first atom: 13785 Blocpdb> 235 atoms in block 69 Block first atom: 13997 Blocpdb> 147 atoms in block 70 Block first atom: 14232 Blocpdb> 214 atoms in block 71 Block first atom: 14379 Blocpdb> 219 atoms in block 72 Block first atom: 14593 Blocpdb> 212 atoms in block 73 Block first atom: 14812 Blocpdb> 235 atoms in block 74 Block first atom: 15024 Blocpdb> 147 atoms in block 75 Block first atom: 15259 Blocpdb> 214 atoms in block 76 Block first atom: 15406 Blocpdb> 219 atoms in block 77 Block first atom: 15620 Blocpdb> 212 atoms in block 78 Block first atom: 15839 Blocpdb> 235 atoms in block 79 Block first atom: 16051 Blocpdb> 147 atoms in block 80 Block first atom: 16286 Blocpdb> 214 atoms in block 81 Block first atom: 16433 Blocpdb> 219 atoms in block 82 Block first atom: 16647 Blocpdb> 212 atoms in block 83 Block first atom: 16866 Blocpdb> 235 atoms in block 84 Block first atom: 17078 Blocpdb> 147 atoms in block 85 Block first atom: 17313 Blocpdb> 214 atoms in block 86 Block first atom: 17460 Blocpdb> 219 atoms in block 87 Block first atom: 17674 Blocpdb> 212 atoms in block 88 Block first atom: 17893 Blocpdb> 235 atoms in block 89 Block first atom: 18105 Blocpdb> 147 atoms in block 90 Block first atom: 18340 Blocpdb> 214 atoms in block 91 Block first atom: 18487 Blocpdb> 219 atoms in block 92 Block first atom: 18701 Blocpdb> 212 atoms in block 93 Block first atom: 18920 Blocpdb> 235 atoms in block 94 Block first atom: 19132 Blocpdb> 147 atoms in block 95 Block first atom: 19367 Blocpdb> 214 atoms in block 96 Block first atom: 19514 Blocpdb> 219 atoms in block 97 Block first atom: 19728 Blocpdb> 212 atoms in block 98 Block first atom: 19947 Blocpdb> 235 atoms in block 99 Block first atom: 20159 Blocpdb> 147 atoms in block 100 Block first atom: 20394 Blocpdb> 214 atoms in block 101 Block first atom: 20541 Blocpdb> 219 atoms in block 102 Block first atom: 20755 Blocpdb> 212 atoms in block 103 Block first atom: 20974 Blocpdb> 235 atoms in block 104 Block first atom: 21186 Blocpdb> 147 atoms in block 105 Block first atom: 21421 Blocpdb> 214 atoms in block 106 Block first atom: 21568 Blocpdb> 219 atoms in block 107 Block first atom: 21782 Blocpdb> 212 atoms in block 108 Block first atom: 22001 Blocpdb> 235 atoms in block 109 Block first atom: 22213 Blocpdb> 147 atoms in block 110 Block first atom: 22448 Blocpdb> 214 atoms in block 111 Block first atom: 22595 Blocpdb> 219 atoms in block 112 Block first atom: 22809 Blocpdb> 212 atoms in block 113 Block first atom: 23028 Blocpdb> 235 atoms in block 114 Block first atom: 23240 Blocpdb> 147 atoms in block 115 Block first atom: 23475 Blocpdb> 214 atoms in block 116 Block first atom: 23622 Blocpdb> 219 atoms in block 117 Block first atom: 23836 Blocpdb> 212 atoms in block 118 Block first atom: 24055 Blocpdb> 235 atoms in block 119 Block first atom: 24267 Blocpdb> 147 atoms in block 120 Block first atom: 24502 Blocpdb> 214 atoms in block 121 Block first atom: 24649 Blocpdb> 219 atoms in block 122 Block first atom: 24863 Blocpdb> 212 atoms in block 123 Block first atom: 25082 Blocpdb> 235 atoms in block 124 Block first atom: 25294 Blocpdb> 147 atoms in block 125 Block first atom: 25529 Blocpdb> 214 atoms in block 126 Block first atom: 25676 Blocpdb> 219 atoms in block 127 Block first atom: 25890 Blocpdb> 212 atoms in block 128 Block first atom: 26109 Blocpdb> 235 atoms in block 129 Block first atom: 26321 Blocpdb> 147 atoms in block 130 Block first atom: 26556 Blocpdb> 214 atoms in block 131 Block first atom: 26703 Blocpdb> 219 atoms in block 132 Block first atom: 26917 Blocpdb> 212 atoms in block 133 Block first atom: 27136 Blocpdb> 235 atoms in block 134 Block first atom: 27348 Blocpdb> 147 atoms in block 135 Block first atom: 27583 Blocpdb> 214 atoms in block 136 Block first atom: 27730 Blocpdb> 219 atoms in block 137 Block first atom: 27944 Blocpdb> 212 atoms in block 138 Block first atom: 28163 Blocpdb> 235 atoms in block 139 Block first atom: 28375 Blocpdb> 147 atoms in block 140 Block first atom: 28610 Blocpdb> 214 atoms in block 141 Block first atom: 28757 Blocpdb> 219 atoms in block 142 Block first atom: 28971 Blocpdb> 212 atoms in block 143 Block first atom: 29190 Blocpdb> 235 atoms in block 144 Block first atom: 29402 Blocpdb> 147 atoms in block 145 Block first atom: 29637 Blocpdb> 214 atoms in block 146 Block first atom: 29784 Blocpdb> 219 atoms in block 147 Block first atom: 29998 Blocpdb> 212 atoms in block 148 Block first atom: 30217 Blocpdb> 235 atoms in block 149 Block first atom: 30429 Blocpdb> 147 atoms in block 150 Block first atom: 30664 Blocpdb> 214 atoms in block 151 Block first atom: 30811 Blocpdb> 219 atoms in block 152 Block first atom: 31025 Blocpdb> 212 atoms in block 153 Block first atom: 31244 Blocpdb> 235 atoms in block 154 Block first atom: 31456 Blocpdb> 147 atoms in block 155 Block first atom: 31691 Blocpdb> 214 atoms in block 156 Block first atom: 31838 Blocpdb> 219 atoms in block 157 Block first atom: 32052 Blocpdb> 212 atoms in block 158 Block first atom: 32271 Blocpdb> 235 atoms in block 159 Block first atom: 32483 Blocpdb> 147 atoms in block 160 Block first atom: 32718 Blocpdb> 214 atoms in block 161 Block first atom: 32865 Blocpdb> 219 atoms in block 162 Block first atom: 33079 Blocpdb> 212 atoms in block 163 Block first atom: 33298 Blocpdb> 235 atoms in block 164 Block first atom: 33510 Blocpdb> 147 atoms in block 165 Block first atom: 33745 Blocpdb> 214 atoms in block 166 Block first atom: 33892 Blocpdb> 219 atoms in block 167 Block first atom: 34106 Blocpdb> 212 atoms in block 168 Block first atom: 34325 Blocpdb> 235 atoms in block 169 Block first atom: 34537 Blocpdb> 147 atoms in block 170 Block first atom: 34772 Blocpdb> 214 atoms in block 171 Block first atom: 34919 Blocpdb> 219 atoms in block 172 Block first atom: 35133 Blocpdb> 212 atoms in block 173 Block first atom: 35352 Blocpdb> 235 atoms in block 174 Block first atom: 35564 Blocpdb> 147 atoms in block 175 Block first atom: 35799 Blocpdb> 214 atoms in block 176 Block first atom: 35946 Blocpdb> 219 atoms in block 177 Block first atom: 36160 Blocpdb> 212 atoms in block 178 Block first atom: 36379 Blocpdb> 235 atoms in block 179 Block first atom: 36591 Blocpdb> 147 atoms in block 180 Block first atom: 36826 Blocpdb> 214 atoms in block 181 Block first atom: 36973 Blocpdb> 219 atoms in block 182 Block first atom: 37187 Blocpdb> 212 atoms in block 183 Block first atom: 37406 Blocpdb> 235 atoms in block 184 Block first atom: 37618 Blocpdb> 147 atoms in block 185 Block first atom: 37853 Blocpdb> 214 atoms in block 186 Block first atom: 38000 Blocpdb> 219 atoms in block 187 Block first atom: 38214 Blocpdb> 212 atoms in block 188 Block first atom: 38433 Blocpdb> 235 atoms in block 189 Block first atom: 38645 Blocpdb> 147 atoms in block 190 Block first atom: 38880 Blocpdb> 214 atoms in block 191 Block first atom: 39027 Blocpdb> 219 atoms in block 192 Block first atom: 39241 Blocpdb> 212 atoms in block 193 Block first atom: 39460 Blocpdb> 235 atoms in block 194 Block first atom: 39672 Blocpdb> 147 atoms in block 195 Block first atom: 39907 Blocpdb> 214 atoms in block 196 Block first atom: 40054 Blocpdb> 219 atoms in block 197 Block first atom: 40268 Blocpdb> 212 atoms in block 198 Block first atom: 40487 Blocpdb> 235 atoms in block 199 Block first atom: 40699 Blocpdb> 147 atoms in block 200 Block first atom: 40934 Blocpdb> 214 atoms in block 201 Block first atom: 41081 Blocpdb> 219 atoms in block 202 Block first atom: 41295 Blocpdb> 212 atoms in block 203 Block first atom: 41514 Blocpdb> 235 atoms in block 204 Block first atom: 41726 Blocpdb> 147 atoms in block 205 Block first atom: 41960 Blocpdb> 205 blocks. Blocpdb> At most, 235 atoms in each of them. Blocpdb> At least, 147 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. %Diagrtb-Er> IRWKMX up to: 89553331 Maximum allowed is LRWORK= 32000000 %Diagrtb-Er> Not enough memory allowed for working arrays. Sorry. Lower the number of blocks, the sizes of the largest ones... Or recompile DIAGRTB with larger WORKing arrays. STDERR: STOP *Working arrays allocation error* real 0m0.261s user 0m0.220s sys 0m0.008s




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elNémo is maintained by Yves-Henri Sanejouand.
It was developed by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: October 18th, 2018.