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

LOGs for ID: 21022103451560400

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 = 21022103451560400.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 21022103451560400.atom to be opened. Openam> File opened: 21022103451560400.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 = 1012 First residue number = 1562 Last residue number = 1584 Number of atoms found = 1012 Mean number per residue = 1.0 Pdbmat> Coordinate statistics: = 243.078011 +/- 18.385015 From: 202.770000 To: 283.354000 = 243.021348 +/- 18.293411 From: 202.839000 To: 283.118000 = 318.011978 +/- 1.914928 From: 314.364000 To: 322.014000 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. 1: GLN 1562 CA and 93: GLN 1562 CA %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.