[gmx-users] pdb2gmx+ACE+NAC

Xavier Periole periole at inka.mssm.edu
Wed Jul 23 22:59:01 CEST 2003

There is in fact no atom N in the ACE residue. Check your pdb file
to see if there is one defined in ACE.


----- Original Message -----
From: "Milan Melichercik" <melicher at cray.dbp.fmph.uniba.sk>
To: "Gromacs users' mailing-list" <gmx-users at gromacs.org>
Sent: Wednesday, July 23, 2003 4:48 PM
Subject: [gmx-users] pdb2gmx+ACE+NAC

> hi all,
> I have the protein, wthich begins with ACE and ends with NAC "aminoacid
> residue" and I'm trying to convert it into .gro by pdb2gmx. But pdb2gmx
> complains with this error message:
> "Fatal error: atom N not found in residue 1ACE while combining tdb and
> What am I doing wrong?
> thx
> Milan
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