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***  nompcdar12  ***

LOGs for ID: 2607020449471878025

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 = 2607020449471878025.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 2607020449471878025.atom to be opened. Openam> File opened: 2607020449471878025.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 = 5308 First residue number = 1 Last residue number = 1327 Number of atoms found = 40840 Mean number per residue = 7.7 Pdbmat> Coordinate statistics: = 242.320703 +/- 29.633453 From: 166.439000 To: 323.318000 = 243.037248 +/- 29.789911 From: 160.172000 To: 325.203000 = 279.313377 +/- 49.297280 From: 154.812000 To: 382.338000 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 1.3808 % Filled. Pdbmat> 14680576 non-zero elements. Pdbmat> 1604229 atom-atom interactions. Pdbmat> Number per atom= 78.56 +/- 24.78 Maximum number = 132 Minimum number = 8 Pdbmat> Matrix trace = 3.208458E+07 Pdbmat> Larger element = 520.047 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. 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 = 2607020449471878025.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 30 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 2607020449471878025.atom to be opened. Openam> file on opening on unit 11: 2607020449471878025.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 40840 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 30 residue(s) per block. Blocpdb> 5308 residues. Blocpdb> 202 atoms in block 1 Block first atom: 1 Blocpdb> 213 atoms in block 2 Block first atom: 203 Blocpdb> 214 atoms in block 3 Block first atom: 416 Blocpdb> 234 atoms in block 4 Block first atom: 630 Blocpdb> 234 atoms in block 5 Block first atom: 864 Blocpdb> 231 atoms in block 6 Block first atom: 1098 Blocpdb> 235 atoms in block 7 Block first atom: 1329 Blocpdb> 230 atoms in block 8 Block first atom: 1564 Blocpdb> 235 atoms in block 9 Block first atom: 1794 Blocpdb> 233 atoms in block 10 Block first atom: 2029 Blocpdb> 226 atoms in block 11 Block first atom: 2262 Blocpdb> 246 atoms in block 12 Block first atom: 2488 Blocpdb> 213 atoms in block 13 Block first atom: 2734 Blocpdb> 233 atoms in block 14 Block first atom: 2947 Blocpdb> 222 atoms in block 15 Block first atom: 3180 Blocpdb> 215 atoms in block 16 Block first atom: 3402 Blocpdb> 212 atoms in block 17 Block first atom: 3617 Blocpdb> 228 atoms in block 18 Block first atom: 3829 Blocpdb> 215 atoms in block 19 Block first atom: 4057 Blocpdb> 217 atoms in block 20 Block first atom: 4272 Blocpdb> 222 atoms in block 21 Block first atom: 4489 Blocpdb> 230 atoms in block 22 Block first atom: 4711 Blocpdb> 224 atoms in block 23 Block first atom: 4941 Blocpdb> 217 atoms in block 24 Block first atom: 5165 Blocpdb> 258 atoms in block 25 Block first atom: 5382 Blocpdb> 232 atoms in block 26 Block first atom: 5640 Blocpdb> 217 atoms in block 27 Block first atom: 5872 Blocpdb> 234 atoms in block 28 Block first atom: 6089 Blocpdb> 254 atoms in block 29 Block first atom: 6323 Blocpdb> 244 atoms in block 30 Block first atom: 6577 Blocpdb> 240 atoms in block 31 Block first atom: 6821 Blocpdb> 240 atoms in block 32 Block first atom: 7061 Blocpdb> 230 atoms in block 33 Block first atom: 7301 Blocpdb> 245 atoms in block 34 Block first atom: 7531 Blocpdb> 236 atoms in block 35 Block first atom: 7776 Blocpdb> 251 atoms in block 36 Block first atom: 8012 Blocpdb> 246 atoms in block 37 Block first atom: 8263 Blocpdb> 252 atoms in block 38 Block first atom: 8509 Blocpdb> 243 atoms in block 39 Block first atom: 8761 Blocpdb> 249 atoms in block 40 Block first atom: 9004 Blocpdb> 235 atoms in block 41 Block first atom: 9253 Blocpdb> 228 atoms in block 42 Block first atom: 9488 Blocpdb> 232 atoms in block 43 Block first atom: 9716 Blocpdb> 211 atoms in block 44 Block first atom: 9948 Blocpdb> 52 atoms in block 45 Block first atom: 10159 Blocpdb> 202 atoms in block 46 Block first atom: 10211 Blocpdb> 213 atoms in block 47 Block first atom: 10413 Blocpdb> 214 atoms in block 48 Block first atom: 10626 Blocpdb> 234 atoms in block 49 Block first atom: 10840 Blocpdb> 234 atoms in block 50 Block first atom: 11074 Blocpdb> 231 atoms in block 51 Block first atom: 11308 Blocpdb> 235 atoms in block 52 Block first atom: 11539 Blocpdb> 230 atoms in block 53 Block first atom: 11774 Blocpdb> 235 atoms in block 54 Block first atom: 12004 Blocpdb> 233 atoms in block 55 Block first atom: 12239 Blocpdb> 226 atoms in block 56 Block first atom: 12472 Blocpdb> 246 atoms in block 57 Block first atom: 12698 Blocpdb> 213 atoms in block 58 Block first atom: 12944 Blocpdb> 233 atoms in block 59 Block first atom: 13157 Blocpdb> 222 atoms in block 60 Block first atom: 13390 Blocpdb> 215 atoms in block 61 Block first atom: 13612 Blocpdb> 212 atoms in block 62 Block first atom: 13827 Blocpdb> 228 atoms in block 63 Block first atom: 14039 Blocpdb> 215 atoms in block 64 Block first atom: 14267 Blocpdb> 217 atoms in block 65 Block first atom: 14482 Blocpdb> 222 atoms in block 66 Block first atom: 14699 Blocpdb> 230 atoms in block 67 Block first atom: 14921 Blocpdb> 224 atoms in block 68 Block first atom: 15151 Blocpdb> 217 atoms in block 69 Block first atom: 15375 Blocpdb> 258 atoms in block 70 Block first atom: 15592 Blocpdb> 232 atoms in block 71 Block first atom: 15850 Blocpdb> 217 atoms in block 72 Block first atom: 16082 Blocpdb> 234 atoms in block 73 Block first atom: 16299 Blocpdb> 254 atoms in block 74 Block first atom: 16533 Blocpdb> 244 atoms in block 75 Block first atom: 16787 Blocpdb> 240 atoms in block 76 Block first atom: 17031 Blocpdb> 240 atoms in block 77 Block first atom: 17271 Blocpdb> 230 atoms in block 78 Block first atom: 17511 Blocpdb> 245 atoms in block 79 Block first atom: 17741 Blocpdb> 236 atoms in block 80 Block first atom: 17986 Blocpdb> 251 atoms in block 81 Block first atom: 18222 Blocpdb> 246 atoms in block 82 Block first atom: 18473 Blocpdb> 252 atoms in block 83 Block first atom: 18719 Blocpdb> 243 atoms in block 84 Block first atom: 18971 Blocpdb> 249 atoms in block 85 Block first atom: 19214 Blocpdb> 235 atoms in block 86 Block first atom: 19463 Blocpdb> 228 atoms in block 87 Block first atom: 19698 Blocpdb> 232 atoms in block 88 Block first atom: 19926 Blocpdb> 211 atoms in block 89 Block first atom: 20158 Blocpdb> 52 atoms in block 90 Block first atom: 20369 Blocpdb> 202 atoms in block 91 Block first atom: 20421 Blocpdb> 213 atoms in block 92 Block first atom: 20623 Blocpdb> 214 atoms in block 93 Block first atom: 20836 Blocpdb> 234 atoms in block 94 Block first atom: 21050 Blocpdb> 234 atoms in block 95 Block first atom: 21284 Blocpdb> 231 atoms in block 96 Block first atom: 21518 Blocpdb> 235 atoms in block 97 Block first atom: 21749 Blocpdb> 230 atoms in block 98 Block first atom: 21984 Blocpdb> 235 atoms in block 99 Block first atom: 22214 Blocpdb> 233 atoms in block 100 Block first atom: 22449 Blocpdb> 226 atoms in block 101 Block first atom: 22682 Blocpdb> 246 atoms in block 102 Block first atom: 22908 Blocpdb> 213 atoms in block 103 Block first atom: 23154 Blocpdb> 233 atoms in block 104 Block first atom: 23367 Blocpdb> 222 atoms in block 105 Block first atom: 23600 Blocpdb> 215 atoms in block 106 Block first atom: 23822 Blocpdb> 212 atoms in block 107 Block first atom: 24037 Blocpdb> 228 atoms in block 108 Block first atom: 24249 Blocpdb> 215 atoms in block 109 Block first atom: 24477 Blocpdb> 217 atoms in block 110 Block first atom: 24692 Blocpdb> 222 atoms in block 111 Block first atom: 24909 Blocpdb> 230 atoms in block 112 Block first atom: 25131 Blocpdb> 224 atoms in block 113 Block first atom: 25361 Blocpdb> 217 atoms in block 114 Block first atom: 25585 Blocpdb> 258 atoms in block 115 Block first atom: 25802 Blocpdb> 232 atoms in block 116 Block first atom: 26060 Blocpdb> 217 atoms in block 117 Block first atom: 26292 Blocpdb> 234 atoms in block 118 Block first atom: 26509 Blocpdb> 254 atoms in block 119 Block first atom: 26743 Blocpdb> 244 atoms in block 120 Block first atom: 26997 Blocpdb> 240 atoms in block 121 Block first atom: 27241 Blocpdb> 240 atoms in block 122 Block first atom: 27481 Blocpdb> 230 atoms in block 123 Block first atom: 27721 Blocpdb> 245 atoms in block 124 Block first atom: 27951 Blocpdb> 236 atoms in block 125 Block first atom: 28196 Blocpdb> 251 atoms in block 126 Block first atom: 28432 Blocpdb> 246 atoms in block 127 Block first atom: 28683 Blocpdb> 252 atoms in block 128 Block first atom: 28929 Blocpdb> 243 atoms in block 129 Block first atom: 29181 Blocpdb> 249 atoms in block 130 Block first atom: 29424 Blocpdb> 235 atoms in block 131 Block first atom: 29673 Blocpdb> 228 atoms in block 132 Block first atom: 29908 Blocpdb> 232 atoms in block 133 Block first atom: 30136 Blocpdb> 211 atoms in block 134 Block first atom: 30368 Blocpdb> 52 atoms in block 135 Block first atom: 30579 Blocpdb> 202 atoms in block 136 Block first atom: 30631 Blocpdb> 213 atoms in block 137 Block first atom: 30833 Blocpdb> 214 atoms in block 138 Block first atom: 31046 Blocpdb> 234 atoms in block 139 Block first atom: 31260 Blocpdb> 234 atoms in block 140 Block first atom: 31494 Blocpdb> 231 atoms in block 141 Block first atom: 31728 Blocpdb> 235 atoms in block 142 Block first atom: 31959 Blocpdb> 230 atoms in block 143 Block first atom: 32194 Blocpdb> 235 atoms in block 144 Block first atom: 32424 Blocpdb> 233 atoms in block 145 Block first atom: 32659 Blocpdb> 226 atoms in block 146 Block first atom: 32892 Blocpdb> 246 atoms in block 147 Block first atom: 33118 Blocpdb> 213 atoms in block 148 Block first atom: 33364 Blocpdb> 233 atoms in block 149 Block first atom: 33577 Blocpdb> 222 atoms in block 150 Block first atom: 33810 Blocpdb> 215 atoms in block 151 Block first atom: 34032 Blocpdb> 212 atoms in block 152 Block first atom: 34247 Blocpdb> 228 atoms in block 153 Block first atom: 34459 Blocpdb> 215 atoms in block 154 Block first atom: 34687 Blocpdb> 217 atoms in block 155 Block first atom: 34902 Blocpdb> 222 atoms in block 156 Block first atom: 35119 Blocpdb> 230 atoms in block 157 Block first atom: 35341 Blocpdb> 224 atoms in block 158 Block first atom: 35571 Blocpdb> 217 atoms in block 159 Block first atom: 35795 Blocpdb> 258 atoms in block 160 Block first atom: 36012 Blocpdb> 232 atoms in block 161 Block first atom: 36270 Blocpdb> 217 atoms in block 162 Block first atom: 36502 Blocpdb> 234 atoms in block 163 Block first atom: 36719 Blocpdb> 254 atoms in block 164 Block first atom: 36953 Blocpdb> 244 atoms in block 165 Block first atom: 37207 Blocpdb> 240 atoms in block 166 Block first atom: 37451 Blocpdb> 240 atoms in block 167 Block first atom: 37691 Blocpdb> 230 atoms in block 168 Block first atom: 37931 Blocpdb> 245 atoms in block 169 Block first atom: 38161 Blocpdb> 236 atoms in block 170 Block first atom: 38406 Blocpdb> 251 atoms in block 171 Block first atom: 38642 Blocpdb> 246 atoms in block 172 Block first atom: 38893 Blocpdb> 252 atoms in block 173 Block first atom: 39139 Blocpdb> 243 atoms in block 174 Block first atom: 39391 Blocpdb> 249 atoms in block 175 Block first atom: 39634 Blocpdb> 235 atoms in block 176 Block first atom: 39883 Blocpdb> 228 atoms in block 177 Block first atom: 40118 Blocpdb> 232 atoms in block 178 Block first atom: 40346 Blocpdb> 211 atoms in block 179 Block first atom: 40578 Blocpdb> 52 atoms in block 180 Block first atom: 40788 Blocpdb> 180 blocks. Blocpdb> At most, 258 atoms in each of them. Blocpdb> At least, 52 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: 95429557 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 0m0.227s user 0m0.211s sys 0m0.016s




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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.