[gmx-users] Fatal error: Atom O in residue COC 1 not

Yunfeng Hu yunfeng at scripps.edu
Wed Nov 24 19:05:35 CET 2004

Yes, I am very sure of it.

Date: Wed, 24 Nov 2004 09:09:26 +0100
From: Florian Haberl <Florian.Haberl at chemie.uni-erlangen.de>
Subject: Re: [gmx-users] Fatal error: Atom O in residue COC 1 not
	found in rtp	entry with 22 atoms
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Message-ID: <200411240909.26128.Florian.Haberl at chemie.uni-erlangen.de>
Content-Type: text/plain;  charset="iso-8859-1"

On Tuesday 23 November 2004 20:23, Yunfeng Hu wrote:
> Hi, I edited ffG43a1.rtp and ffG43a1.hdb to incorporate my new ligand.
> However I still get the following error when using pdb2gmx -ignh -f
> cocaine.pdb -o cocaine.gro -p cocaine.top

Have you used the right force field with pdb2gmx ?

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