CNRS Nantes University US2B US2B
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Should you encounter any unexpected behaviour,
please let us know.


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LOGs for ID: 2404140443594183972

output from eigenvector calculation:


STDOUT:
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 = 2404140443594183972.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 2404140443594183972.atom to be opened. Openam> File opened: 2404140443594183972.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 = 186 First residue number = 97 Last residue number = 290 Number of atoms found = 1483 Mean number per residue = 8.0 Pdbmat> Coordinate statistics: = 167.943380 +/- 9.238424 From: 141.653000 To: 188.936000 = -28.574038 +/- 8.861252 From: -49.812000 To: -4.386000 = -263.469270 +/- 9.762061 From: -285.450000 To: -240.120000 Pdbmat> Masses are all set to one. Openam> File opened: pdbmat.xyzm Pdbmat> Coordinates and masses considered are saved. Openam> File opened: pdbmat.sdijf Pdbmat> Matrix statistics: Pdbmat> The matrix is 5.3946 % Filled. Pdbmat> 534015 non-zero elements. Pdbmat> 58353 atom-atom interactions. Pdbmat> Number per atom= 78.70 +/- 24.76 Maximum number = 127 Minimum number = 13 Pdbmat> Matrix trace = 1.167060E+06 Pdbmat> Larger element = 499.374 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. using diagstd (there are 1483 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: April 25th, 2023.