[gmx-users] pdb2gmx atom not found

[David van der Spoel]

Una Bjarnadottir wrote:
> Dear users,
> 
> I keep getting this error when starting runs;
> 
> Opening library file aminoacids.dat
> -------------------------------------------------------
> Program pdb2gmx, VERSION 3.3
> Source code file: add_par.c, line: 221
> 
> Fatal error:
> Atom NZ1 not found in rtp database in residue LYSH, it looks a bit like NZ
> -------------------------------------------------------
> 
> There is no Atom NZ1 in the .rtp file or the pdb file I'm using. No .top 
> file is generated so no run.
> 
> I would really appreaciate any comments on how to fix this.
rename the atom in the pdb file
> 
> Cheers, Una
> 
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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://folding.bmc.uu.se
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