***  8qfh  ***
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 = 2404101706193327189.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 2404101706193327189.atom to be opened.
Openam> File opened: 2404101706193327189.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 = 700
First residue number = 1
Last residue number = 350
Number of atoms found = 12082
Mean number per residue = 17.3
Pdbmat> Coordinate statistics:
= -0.024293 +/- 15.444414 From: -31.733000 To: 31.719000
= 0.053030 +/- 11.105792 From: -27.322000 To: 27.345000
= 23.950975 +/- 20.596749 From: -13.719000 To: 63.072000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
%Pdbmat-Er> Too small distance = 0.000 between following atoms.
1740: SER 91 H and 1741: SER 91 H
%Pdbmat-Er> Too small distance = 0.000 between following atoms.
*** pdbmat failed for the reason given above ****
*** please check your input file and parameters ****
*** (are there two atoms at the same position? ****
*** e.g. alternative conformations ) ****
STDERR:
STOP *Wrong coordinates*
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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.
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