AMBER Archive (2002)

Subject: Leap error: PDB file with more than 10000 residues

From: Pratul Agarwal (pratulka_at_rocketmail.com)
Date: Tue Aug 06 2002 - 14:50:04 CDT

I am trying to read in a PDB file with more than 10000 residues (about
18000 water molecules) and am running into the following problem (see
error message below). Any suggestions for getting around the problem?
I apologize if this has been discussed previously, but a search of mail
archives did not help.

--------
> complex = loadpdb complex.pdb
Loading PDB file: ./complex.pdb
-- residue 10000: duplicate [] atoms (total 26739)

   ATOM NAMES IN EACH RESIDUE MUST BE UNIQUE:
     (same-name atoms are reduced to a single atom)

Unknown residue: number: 9999 type: Terminal/last
..relaxing end constraints to try for a dbase match
  -no luck
Creating new UNIT for residue: sequence: 10000
Created a new atom named: within residue: .R< 10000>
  total atoms in file: 61641
  The file contained 1 atoms not in residue templates
--------

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