*** ***
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 = 1.0E09
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 nonzero elements.
Pdbmat> 58353 atomatom 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 YvesHenri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
