***    ***
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 = 2605150013472775371.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 2605150013472775371.atom to be opened.
Openam> File opened: 2605150013472775371.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 = 1070
First residue number = 1
Last residue number = 37
Number of atoms found = 47192
Mean number per residue = 44.1
Pdbmat> Coordinate statistics:
= -0.292808 +/- 29.980380 From: -59.031000 To: 57.192000
= -0.354266 +/- 30.199795 From: -63.607000 To: 60.969000
= -5.942141 +/- 14.244123 From: -63.998000 To: 56.248000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'DOPE' is not a well known amino-acid.
%Pdbmat-W> ........
%Pdbmat-W> 462 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is -5.3019 % Filled.
Pdbmat> 37933273 non-zero elements.
Pdbmat> 4184044 atom-atom interactions.
Pdbmat> Number per atom= 177.32 +/- 50.01
Maximum number = 252
Minimum number = 0
Pdbmat> Matrix trace = 8.368088E+07
Pdbmat> Larger element = 917.701
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1070 non-zero elements, NRBL set to 6
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2605150013472775371.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 6
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2605150013472775371.atom to be opened.
Openam> file on opening on unit 11:
2605150013472775371.atom
Blocpdb> Coordinate file in PDB format.
STDERR:
At line 887 of file diagrtb.f
Fortran runtime error: Bad value during integer read
Error termination. Backtrace:
#0 0x77d30c228e16 in ???
#1 0x77d30c229aa1 in ???
#2 0x77d30c4f7637 in ???
#3 0x77d30c4fce09 in ???
#4 0x77d30c4fe211 in ???
#5 0x62fa51375c97 in blocpdb_
#6 0x62fa5137f7f2 in MAIN__
#7 0x62fa51380fad in main
real 0m0.216s
user 0m0.195s
sys 0m0.020s
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: april 24th, 2026.
|