AMBER Archive (2007)

Subject: Re: AMBER: problem in compiling amber with suse 9.1 i686, finally in leap

From: David A. Case (case_at_scripps.edu)
Date: Tue Jul 24 2007 - 10:20:30 CDT


On Tue, Jul 24, 2007, Prem Prakash Pathak wrote:

> Loading PDB file: ./PTH.pdb
> Created a new atom named: H within residue: .R<NMET 1>

This means that your pdb file has an atom named "H" in the first residue, but
the hydrogens in an N-terminal residue in the Amber library are called "H1",
"H2" and "H3". The easiest thing to do is to remove this H atom from the pdb
file, and run tleap again.

...good luck...dac

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