***    ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
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 = 22121818045850962.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 22121818045850962.atom to be opened.
Openam> File opened: 22121818045850962.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 = 4084
First residue number = 5
Last residue number = 166
Number of atoms found = 32038
Mean number per residue = 7.8
Pdbmat> Coordinate statistics:
= 146.533569 +/- 16.702193 From: 97.972000 To: 190.265000
= 147.196863 +/- 21.758019 From: 87.639000 To: 203.101000
= 133.554071 +/- 69.653081 From: 3.437000 To: 284.593000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'MG ' is not a well known amino-acid.
%Pdbmat-W> residue:'ADP ' is not a well known amino-acid.
%Pdbmat-W> residue:'MG ' is not a well known amino-acid.
%Pdbmat-W> residue:'ADP ' is not a well known amino-acid.
%Pdbmat-W> residue:'MG ' is not a well known amino-acid.
%Pdbmat-W> residue:'ADP ' is not a well known amino-acid.
%Pdbmat-W> residue:'MG ' is not a well known amino-acid.
%Pdbmat-W> residue:'ADP ' is not a well known amino-acid.
%Pdbmat-W> residue:'MG ' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 18 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijf
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.7716 % Filled.
Pdbmat> 12221268 non-zero elements.
Pdbmat> 1336780 atom-atom interactions.
Pdbmat> Number per atom= 83.45 +/- 20.14
Maximum number = 132
Minimum number = 13
Pdbmat> Matrix trace = 2.673560E+07
Pdbmat> Larger element = 511.071
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
using diagstd (there are 32038 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: October 18th, 2018.
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