CNRS Nantes University US2B US2B
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Should you encounter any unexpected behaviour,
please let us know.
elNémo has been hacked on november 27th.
It has been moved away and runs again.
**Still some additional cleaning from time to time**
Sorry for the inconvenience.


***  BAK full membrane  ***

LOGs for ID: 2602240914591290018

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 = 2602240914591290018.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 2602240914591290018.atom to be opened. Openam> File opened: 2602240914591290018.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 = 1750 First residue number = 1 Last residue number = 1750 Number of atoms found = 62664 Mean number per residue = 35.8 Pdbmat> Coordinate statistics: = 64.696272 +/- 34.763849 From: 1.430000 To: 127.519000 = 66.495992 +/- 34.374229 From: 1.107000 To: 130.438000 = 89.013763 +/- 14.528594 From: 4.112000 To: 178.913000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'HIE ' is not a well known amino-acid. %Pdbmat-W> residue:'HIE ' is not a well known amino-acid. %Pdbmat-W> residue:'HIE ' is not a well known amino-acid. %Pdbmat-W> residue:'HIE ' is not a well known amino-acid. %Pdbmat-W> residue:'HIE ' is not a well known amino-acid. %Pdbmat-W> residue:'HIE ' is not a well known amino-acid. %Pdbmat-W> residue:'PA ' is not a well known amino-acid. %Pdbmat-W> residue:'PC ' is not a well known amino-acid. %Pdbmat-W> residue:'OL ' is not a well known amino-acid. %Pdbmat-W> ........ %Pdbmat-W> 1559 residue(s) not known. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijb Pdbmat> Matrix statistics: Pdbmat> The matrix is 10.6447 % Filled. Pdbmat> 52235845 non-zero elements. Pdbmat> 5763195 atom-atom interactions. Pdbmat> Number per atom= 183.94 +/- 50.45 Maximum number = 319 Minimum number = 0 Pdbmat> Matrix trace = 1.152639E+08 Pdbmat> Larger element = 1154.93 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1750 non-zero elements, NRBL set to 9 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 = 2602240914591290018.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 9 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 2602240914591290018.atom to be opened. Openam> file on opening on unit 11: 2602240914591290018.atom Blocpdb> Coordinate file in PDB format. Blocpdb> 62664 atoms picked in pdb file. Blocpdb> All masses set to unity. Blocpdb> Coordinate file is rewritten. Blocpdb> Substructuring: Blocpdb> 9 residue(s) per block. Blocpdb> 1750 residues. Blocpdb> 113 atoms in block 1 Block first atom: 1 Blocpdb> 131 atoms in block 2 Block first atom: 114 Blocpdb> 164 atoms in block 3 Block first atom: 245 Blocpdb> 147 atoms in block 4 Block first atom: 409 Blocpdb> 108 atoms in block 5 Block first atom: 556 Blocpdb> 141 atoms in block 6 Block first atom: 664 Blocpdb> 130 atoms in block 7 Block first atom: 805 Blocpdb> 131 atoms in block 8 Block first atom: 935 Blocpdb> 158 atoms in block 9 Block first atom: 1066 Blocpdb> 144 atoms in block 10 Block first atom: 1224 Blocpdb> 152 atoms in block 11 Block first atom: 1368 Blocpdb> 126 atoms in block 12 Block first atom: 1520 Blocpdb> 149 atoms in block 13 Block first atom: 1646 Blocpdb> 146 atoms in block 14 Block first atom: 1795 Blocpdb> 135 atoms in block 15 Block first atom: 1941 Blocpdb> 153 atoms in block 16 Block first atom: 2076 Blocpdb> 148 atoms in block 17 Block first atom: 2229 Blocpdb> 142 atoms in block 18 Block first atom: 2377 Blocpdb> 133 atoms in block 19 Block first atom: 2519 Blocpdb> 140 atoms in block 20 Block first atom: 2652 Blocpdb> 140 atoms in block 21 Block first atom: 2792 Blocpdb> 200 atoms in block 22 Block first atom: 2932 Blocpdb> 402 atoms in block 23 Block first atom: 3132 Blocpdb> 402 atoms in block 24 Block first atom: 3534 Blocpdb> 402 atoms in block 25 Block first atom: 3936 Blocpdb> 402 atoms in block 26 Block first atom: 4338 Blocpdb> 402 atoms in block 27 Block first atom: 4740 Blocpdb> 402 atoms in block 28 Block first atom: 5142 Blocpdb> 402 atoms in block 29 Block first atom: 5544 Blocpdb> 402 atoms in block 30 Block first atom: 5946 Blocpdb> 402 atoms in block 31 Block first atom: 6348 Blocpdb> 402 atoms in block 32 Block first atom: 6750 Blocpdb> 402 atoms in block 33 Block first atom: 7152 Blocpdb> 402 atoms in block 34 Block first atom: 7554 Blocpdb> 402 atoms in block 35 Block first atom: 7956 Blocpdb> 402 atoms in block 36 Block first atom: 8358 Blocpdb> 402 atoms in block 37 Block first atom: 8760 Blocpdb> 402 atoms in block 38 Block first atom: 9162 Blocpdb> 402 atoms in block 39 Block first atom: 9564 Blocpdb> 402 atoms in block 40 Block first atom: 9966 Blocpdb> 402 atoms in block 41 Block first atom: 10368 Blocpdb> 402 atoms in block 42 Block first atom: 10770 Blocpdb> 402 atoms in block 43 Block first atom: 11172 Blocpdb> 402 atoms in block 44 Block first atom: 11574 Blocpdb> 402 atoms in block 45 Block first atom: 11976 Blocpdb> 402 atoms in block 46 Block first atom: 12378 Blocpdb> 402 atoms in block 47 Block first atom: 12780 Blocpdb> 402 atoms in block 48 Block first atom: 13182 Blocpdb> 402 atoms in block 49 Block first atom: 13584 Blocpdb> 402 atoms in block 50 Block first atom: 13986 Blocpdb> 402 atoms in block 51 Block first atom: 14388 Blocpdb> 402 atoms in block 52 Block first atom: 14790 Blocpdb> 402 atoms in block 53 Block first atom: 15192 Blocpdb> 402 atoms in block 54 Block first atom: 15594 Blocpdb> 402 atoms in block 55 Block first atom: 15996 Blocpdb> 402 atoms in block 56 Block first atom: 16398 Blocpdb> 375 atoms in block 57 Block first atom: 16800 Blocpdb> 375 atoms in block 58 Block first atom: 17175 Blocpdb> 375 atoms in block 59 Block first atom: 17550 Blocpdb> 375 atoms in block 60 Block first atom: 17925 Blocpdb> 375 atoms in block 61 Block first atom: 18300 Blocpdb> 375 atoms in block 62 Block first atom: 18675 Blocpdb> 375 atoms in block 63 Block first atom: 19050 Blocpdb> 375 atoms in block 64 Block first atom: 19425 Blocpdb> 375 atoms in block 65 Block first atom: 19800 Blocpdb> 375 atoms in block 66 Block first atom: 20175 Blocpdb> 375 atoms in block 67 Block first atom: 20550 Blocpdb> 375 atoms in block 68 Block first atom: 20925 Blocpdb> 375 atoms in block 69 Block first atom: 21300 Blocpdb> 375 atoms in block 70 Block first atom: 21675 Blocpdb> 375 atoms in block 71 Block first atom: 22050 Blocpdb> 375 atoms in block 72 Block first atom: 22425 Blocpdb> 375 atoms in block 73 Block first atom: 22800 Blocpdb> 375 atoms in block 74 Block first atom: 23175 Blocpdb> 375 atoms in block 75 Block first atom: 23550 Blocpdb> 375 atoms in block 76 Block first atom: 23925 Blocpdb> 375 atoms in block 77 Block first atom: 24300 Blocpdb> 375 atoms in block 78 Block first atom: 24675 Blocpdb> 377 atoms in block 79 Block first atom: 25050 Blocpdb> 381 atoms in block 80 Block first atom: 25427 Blocpdb> 381 atoms in block 81 Block first atom: 25808 Blocpdb> 381 atoms in block 82 Block first atom: 26189 Blocpdb> 381 atoms in block 83 Block first atom: 26570 Blocpdb> 381 atoms in block 84 Block first atom: 26951 Blocpdb> 381 atoms in block 85 Block first atom: 27332 Blocpdb> 381 atoms in block 86 Block first atom: 27713 Blocpdb> 381 atoms in block 87 Block first atom: 28094 Blocpdb> 427 atoms in block 88 Block first atom: 28475 Blocpdb> 448 atoms in block 89 Block first atom: 28902 Blocpdb> 446 atoms in block 90 Block first atom: 29350 Blocpdb> 446 atoms in block 91 Block first atom: 29796 Blocpdb> 446 atoms in block 92 Block first atom: 30242 Blocpdb> 446 atoms in block 93 Block first atom: 30688 Blocpdb> 448 atoms in block 94 Block first atom: 31134 Blocpdb> 446 atoms in block 95 Block first atom: 31582 Blocpdb> 446 atoms in block 96 Block first atom: 32028 Blocpdb> 432 atoms in block 97 Block first atom: 32474 Blocpdb> 402 atoms in block 98 Block first atom: 32906 Blocpdb> 402 atoms in block 99 Block first atom: 33308 Blocpdb> 402 atoms in block 100 Block first atom: 33710 Blocpdb> 402 atoms in block 101 Block first atom: 34112 Blocpdb> 402 atoms in block 102 Block first atom: 34514 Blocpdb> 402 atoms in block 103 Block first atom: 34916 Blocpdb> 402 atoms in block 104 Block first atom: 35318 Blocpdb> 402 atoms in block 105 Block first atom: 35720 Blocpdb> 402 atoms in block 106 Block first atom: 36122 Blocpdb> 402 atoms in block 107 Block first atom: 36524 Blocpdb> 402 atoms in block 108 Block first atom: 36926 Blocpdb> 402 atoms in block 109 Block first atom: 37328 Blocpdb> 402 atoms in block 110 Block first atom: 37730 Blocpdb> 402 atoms in block 111 Block first atom: 38132 Blocpdb> 402 atoms in block 112 Block first atom: 38534 Blocpdb> 402 atoms in block 113 Block first atom: 38936 Blocpdb> 402 atoms in block 114 Block first atom: 39338 Blocpdb> 402 atoms in block 115 Block first atom: 39740 Blocpdb> 402 atoms in block 116 Block first atom: 40142 Blocpdb> 402 atoms in block 117 Block first atom: 40544 Blocpdb> 402 atoms in block 118 Block first atom: 40946 Blocpdb> 402 atoms in block 119 Block first atom: 41348 Blocpdb> 402 atoms in block 120 Block first atom: 41750 Blocpdb> 402 atoms in block 121 Block first atom: 42152 Blocpdb> 402 atoms in block 122 Block first atom: 42554 Blocpdb> 402 atoms in block 123 Block first atom: 42956 Blocpdb> 402 atoms in block 124 Block first atom: 43358 Blocpdb> 402 atoms in block 125 Block first atom: 43760 Blocpdb> 402 atoms in block 126 Block first atom: 44162 Blocpdb> 402 atoms in block 127 Block first atom: 44564 Blocpdb> 402 atoms in block 128 Block first atom: 44966 Blocpdb> 402 atoms in block 129 Block first atom: 45368 Blocpdb> 402 atoms in block 130 Block first atom: 45770 Blocpdb> 393 atoms in block 131 Block first atom: 46172 Blocpdb> 375 atoms in block 132 Block first atom: 46565 Blocpdb> 375 atoms in block 133 Block first atom: 46940 Blocpdb> 375 atoms in block 134 Block first atom: 47315 Blocpdb> 375 atoms in block 135 Block first atom: 47690 Blocpdb> 375 atoms in block 136 Block first atom: 48065 Blocpdb> 375 atoms in block 137 Block first atom: 48440 Blocpdb> 375 atoms in block 138 Block first atom: 48815 Blocpdb> 375 atoms in block 139 Block first atom: 49190 Blocpdb> 375 atoms in block 140 Block first atom: 49565 Blocpdb> 375 atoms in block 141 Block first atom: 49940 Blocpdb> 375 atoms in block 142 Block first atom: 50315 Blocpdb> 375 atoms in block 143 Block first atom: 50690 Blocpdb> 375 atoms in block 144 Block first atom: 51065 Blocpdb> 375 atoms in block 145 Block first atom: 51440 Blocpdb> 375 atoms in block 146 Block first atom: 51815 Blocpdb> 375 atoms in block 147 Block first atom: 52190 Blocpdb> 375 atoms in block 148 Block first atom: 52565 Blocpdb> 375 atoms in block 149 Block first atom: 52940 Blocpdb> 375 atoms in block 150 Block first atom: 53315 Blocpdb> 375 atoms in block 151 Block first atom: 53690 Blocpdb> 375 atoms in block 152 Block first atom: 54065 Blocpdb> 375 atoms in block 153 Block first atom: 54440 Blocpdb> 379 atoms in block 154 Block first atom: 54815 Blocpdb> 381 atoms in block 155 Block first atom: 55194 Blocpdb> 381 atoms in block 156 Block first atom: 55575 Blocpdb> 381 atoms in block 157 Block first atom: 55956 Blocpdb> 381 atoms in block 158 Block first atom: 56337 Blocpdb> 381 atoms in block 159 Block first atom: 56718 Blocpdb> 381 atoms in block 160 Block first atom: 57099 Blocpdb> 381 atoms in block 161 Block first atom: 57480 Blocpdb> 381 atoms in block 162 Block first atom: 57861 Blocpdb> 446 atoms in block 163 Block first atom: 58242 Blocpdb> 446 atoms in block 164 Block first atom: 58688 Blocpdb> 446 atoms in block 165 Block first atom: 59134 Blocpdb> 448 atoms in block 166 Block first atom: 59580 Blocpdb> 446 atoms in block 167 Block first atom: 60028 Blocpdb> 446 atoms in block 168 Block first atom: 60474 Blocpdb> 446 atoms in block 169 Block first atom: 60920 Blocpdb> 446 atoms in block 170 Block first atom: 61366 Blocpdb> 448 atoms in block 171 Block first atom: 61812 Blocpdb> 203 atoms in block 172 Block first atom: 62260 Blocpdb> 9 atoms in block 173 Block first atom: 62463 Blocpdb> 9 atoms in block 174 Block first atom: 62472 Blocpdb> 9 atoms in block 175 Block first atom: 62481 Blocpdb> 9 atoms in block 176 Block first atom: 62490 Blocpdb> 9 atoms in block 177 Block first atom: 62499 Blocpdb> 9 atoms in block 178 Block first atom: 62508 Blocpdb> 9 atoms in block 179 Block first atom: 62517 Blocpdb> 9 atoms in block 180 Block first atom: 62526 Blocpdb> 9 atoms in block 181 Block first atom: 62535 Blocpdb> 9 atoms in block 182 Block first atom: 62544 Blocpdb> 9 atoms in block 183 Block first atom: 62553 Blocpdb> 9 atoms in block 184 Block first atom: 62562 Blocpdb> 9 atoms in block 185 Block first atom: 62571 Blocpdb> 9 atoms in block 186 Block first atom: 62580 Blocpdb> 9 atoms in block 187 Block first atom: 62589 Blocpdb> 9 atoms in block 188 Block first atom: 62598 Blocpdb> 9 atoms in block 189 Block first atom: 62607 Blocpdb> 9 atoms in block 190 Block first atom: 62616 Blocpdb> 9 atoms in block 191 Block first atom: 62625 Blocpdb> 9 atoms in block 192 Block first atom: 62634 Blocpdb> 9 atoms in block 193 Block first atom: 62643 Blocpdb> 9 atoms in block 194 Block first atom: 62652 Blocpdb> 4 atoms in block 195 Block first atom: 62660 Blocpdb> 195 blocks. Blocpdb> At most, 448 atoms in each of them. Blocpdb> At least, 4 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: 254467585 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 0m0.247s user 0m0.236s sys 0m0.010s




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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: december 26th, 2025.