AMBER Archive (2009)
Subject: [AMBER] atom types in pdb files
From: Dan Kaps (dan.kaps_at_yahoo.com)
Date: Mon Apr 13 2009 - 09:23:58 CDT
I'm having trouble saving saving .prmtop and .inpcrd files in tleap after loading a .pdb file. I use the command MOL = loadpdb myfile.pdb however, when I do check MOL i get the error message: "FATAL: Atom .R<UNK 1>.A<C1 1> does not have a type.
" for every atom in my .pdb file. (I also get the same error message after loading all the necessary .prepin and .frcmod files and attempting to save the .prmtop and .inpcrd files) Does anyone know what I have to do to fix this issue? There ARE two residues in this .pdb file and I have never had this problem when using a pdb with just one residue so that might have something to do with it. (I don't know much about .pdb files, my group is a bunch of physicists using amber for something other than what was intended\).
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