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LOGs for ID: 22121818045850962

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 = 22121818045850962.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 22121818045850962.atom to be opened. Openam> File opened: 22121818045850962.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 = 4084 First residue number = 5 Last residue number = 166 Number of atoms found = 32038 Mean number per residue = 7.8 Pdbmat> Coordinate statistics: = 146.533569 +/- 16.702193 From: 97.972000 To: 190.265000 = 147.196863 +/- 21.758019 From: 87.639000 To: 203.101000 = 133.554071 +/- 69.653081 From: 3.437000 To: 284.593000 Pdbmat> Masses are all set to one. %Pdbmat-W> residue:'MG ' is not a well known amino-acid. %Pdbmat-W> residue:'ADP ' is not a well known amino-acid. %Pdbmat-W> residue:'MG ' is not a well known amino-acid. %Pdbmat-W> residue:'ADP ' is not a well known amino-acid. %Pdbmat-W> residue:'MG ' is not a well known amino-acid. %Pdbmat-W> residue:'ADP ' is not a well known amino-acid. %Pdbmat-W> residue:'MG ' is not a well known amino-acid. %Pdbmat-W> residue:'ADP ' is not a well known amino-acid. %Pdbmat-W> residue:'MG ' is not a well known amino-acid. %Pdbmat-W> ........ %Pdbmat-W> 18 residue(s) not known. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijf Pdbmat> Matrix statistics: Pdbmat> The matrix is 3.7716 % Filled. Pdbmat> 12221268 non-zero elements. Pdbmat> 1336780 atom-atom interactions. Pdbmat> Number per atom= 83.45 +/- 20.14 Maximum number = 132 Minimum number = 13 Pdbmat> Matrix trace = 2.673560E+07 Pdbmat> Larger element = 511.071 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. using diagstd (there are 32038 atoms in your structure) ERROR: number of atoms is too large to use diagstd, that is, over 500 please choose another option for NRBL (not diagstd) STDERR:




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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.