[gmx-users] translate .pdb file to a .top file

[David van der Spoel]

On Fri, 2005-07-29 at 15:24 +0200, kruegerj at fh-bingen.de wrote:
> 
> Hi,
>  we tried to translate a pdb file to a top file using pdb2gmx. We got the
> following error:
> > Fatal error: Atom C1 in residue ABU 1 not found in rtp entry with 7 atoms
> >              while sorting atoms
> We looked up for the residue named ABU in the pdb file. But such residue does
> not exist.
What IS your first residue? And what force field?

> Knows annyone what to do?
> thanks
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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