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: 2404232030292116168

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 = 2404232030292116168.atom Pdbmat> Distance cutoff = 10.00 Force constant = 10.00 Origin of mass values = CONS Pdbmat> Levelshift = 1.0E-09 PRINTing level = 2 Pdbmat> Coordinate file 2404232030292116168.atom to be opened. Openam> File opened: 2404232030292116168.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 = 183 First residue number = 96 Last residue number = 288 Number of atoms found = 1443 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = 33.681166 +/- 9.118713 From: 10.161000 To: 54.379000 = 27.778008 +/- 8.690560 From: 3.952000 To: 49.464000 = 98.007061 +/- 9.329089 From: 75.041000 To: 119.830000 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 9.9246 % Filled. Pdbmat> 930163 non-zero elements. Pdbmat> 102400 atom-atom interactions. Pdbmat> Number per atom= 141.93 +/- 48.63 Maximum number = 246 Minimum number = 29 Pdbmat> Matrix trace = 2.048000E+06 Pdbmat> Larger element = 910.762 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. using diagstd (there are 1443 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.