AMBER Archive (2004)

Subject: Re: AMBER: How to use tleap convert *.pdb file to *.crd and *.top files

From: David A. Case (
Date: Tue Mar 02 2004 - 13:53:31 CST

On Tue, Mar 02, 2004, yonchen wrote:

> > bsheet = loadpdb bsheet.pdb
> Loading PDB file: ./bsheet.pdb
> -- residue 1: duplicate [ HG1] atoms (total 3)

Try to study your pdb file to figure out why the program thinks you have
three HG1 atoms in the first residue. Keep editing the input pdb file
until leap stops complaining.

....good luck...dac

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