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Should you encounter any unexpected behaviour,
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***    ***

LOGs for ID: 22051321402749900

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 = 22051321402749900.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 22051321402749900.atom to be opened. Openam> File opened: 22051321402749900.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 = 1082 First residue number = 1 Last residue number = 300 Number of atoms found = 17295 Mean number per residue = 16.0 Pdbmat> Coordinate statistics: = 106.421571 +/- 11.533549 From: 75.345000 To: 135.038000 = 111.374706 +/- 20.383180 From: 60.626000 To: 153.856000 = 111.864964 +/- 25.863497 From: 56.296000 To: 173.808000 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. 12529: SER 2 H and 12537: SER 2 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: October 18th, 2018.