CNRS Nantes University US2B US2B
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Should you encounter any unexpected behaviour,
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LOGs for ID: 2402032325151404097

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 = 2402032325151404097.atom Pdbmat> Distance cutoff = 5.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2402032325151404097.atom to be opened. Openam> File opened: 2402032325151404097.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 = 195 First residue number = 96 Last residue number = 290 Number of atoms found = 1535 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = 96.984907 +/- 7.571551 From: 78.128000 To: 116.588000 = 82.725434 +/- 9.602290 From: 56.962000 To: 102.282000 = 22.396165 +/- 10.849824 From: -1.056000 To: 47.762000 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 1.5683 % Filled. Pdbmat> 166328 non-zero elements. Pdbmat> 17462 atom-atom interactions. Pdbmat> Number per atom= 22.75 +/- 6.42 Maximum number = 39 Minimum number = 4 Pdbmat> Matrix trace = 349240. Pdbmat> Larger element = 155.688 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. using diagstd (there are 1535 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.