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LOGs for ID: 2605150013472775371

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 = 2605150013472775371.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 2605150013472775371.atom to be opened. Openam> File opened: 2605150013472775371.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 = 1070 First residue number = 1 Last residue number = 37 Number of atoms found = 47192 Mean number per residue = 44.1 Pdbmat> Coordinate statistics: = -0.292808 +/- 29.980380 From: -59.031000 To: 57.192000 = -0.354266 +/- 30.199795 From: -63.607000 To: 60.969000 = -5.942141 +/- 14.244123 From: -63.998000 To: 56.248000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'HSD ' is not a well known amino-acid. %Pdbmat-W> residue:'DOPE' is not a well known amino-acid. %Pdbmat-W> ........ %Pdbmat-W> 462 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 -5.3019 % Filled. Pdbmat> 37933273 non-zero elements. Pdbmat> 4184044 atom-atom interactions. Pdbmat> Number per atom= 177.32 +/- 50.01 Maximum number = 252 Minimum number = 0 Pdbmat> Matrix trace = 8.368088E+07 Pdbmat> Larger element = 917.701 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. automatic determination of NRBL (NRBL = nresidues/200 + 1) 1070 non-zero elements, NRBL set to 6 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 = 2605150013472775371.atom Eigenvector OUTPut file = matrix.eigenrtb Nb of VECTors required = 106 EigeNVALues chosen = LOWE Type of SUBStructuring = NONE Nb of residues per BLOck = 6 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 2605150013472775371.atom to be opened. Openam> file on opening on unit 11: 2605150013472775371.atom Blocpdb> Coordinate file in PDB format. STDERR: At line 887 of file diagrtb.f Fortran runtime error: Bad value during integer read Error termination. Backtrace: #0 0x77d30c228e16 in ??? #1 0x77d30c229aa1 in ??? #2 0x77d30c4f7637 in ??? #3 0x77d30c4fce09 in ??? #4 0x77d30c4fe211 in ??? #5 0x62fa51375c97 in blocpdb_ #6 0x62fa5137f7f2 in MAIN__ #7 0x62fa51380fad in main real 0m0.216s user 0m0.195s sys 0m0.020s




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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.