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

From: David A. Case <>
Date: Tue, 24 Jul 2007 08:20:30 -0700

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

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Jul 25 2007 - 06:07:35 PDT
Custom Search