[gmx-users] pdb2gmx atom not found

Una Bjarnadottir una.bjarnadottir at ucd.ie
Thu Mar 9 15:06:42 CET 2006


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.

Cheers, Una

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