Re: [AMBER] error in making prmtop & inpcrd for ligand-protein complex

From: <>
Date: Mon, 2 Apr 2012 09:50:45 -0400 (EDT)


>> FATAL:  Atom .R<ASN 582>.A<C 3> does not have a type.

ASN is a standard residue and leap seems to have digested the previous 581
residues fine, so this sounds like your pdb file contains some atom names
not recognized by leap. Check the pdb file if atom 'C' in residue 582 is
somehow different, e.g. the atom naming scheme compared to other ASNs,
indentation, duplicate atoms, misplaced TER within the residue, last atom
in the pdb, etc...


Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Mon Apr 02 2012 - 07:00:06 PDT
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