CNRS Nantes University US2B US2B
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Should you encounter any unexpected behaviour,
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LOGs for ID: 2402181553163324914

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 = 2402181553163324914.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 2402181553163324914.atom to be opened. Openam> File opened: 2402181553163324914.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 = 194 First residue number = 96 Last residue number = 289 Number of atoms found = 1538 Mean number per residue = 7.9 Pdbmat> Coordinate statistics: = 2.751174 +/- 9.365971 From: -20.752000 To: 23.497000 = -0.094492 +/- 7.683211 From: -19.898000 To: 20.086000 = 31.253308 +/- 10.822409 From: 7.532000 To: 55.003000 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 9.2331 % Filled. Pdbmat> 983029 non-zero elements. Pdbmat> 108219 atom-atom interactions. Pdbmat> Number per atom= 140.73 +/- 45.55 Maximum number = 235 Minimum number = 32 Pdbmat> Matrix trace = 2.164380E+06 Pdbmat> Larger element = 842.985 Pdbmat> 0 elements larger than +/- 1.0E+10 Pdbmat> Normal end. using diagstd (there are 1538 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.