[gmx-users] pdb2gmx

amitbehra at chemeng.iisc.ernet.in amitbehra at chemeng.iisc.ernet.in
Fri Aug 19 16:53:16 CEST 2016

Hello users,
I am using pdb2gmx on a protein.
Fatal error:
Residue 1 named LYS of a molecule in the input file was mapped
to an entry in the topology database, but the atom N used in
that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed.

ATOM      1  N   LYS     8      59.565  44.696  51.226  1.00  0.00        
0.00           H
ATOM     19  NZ  LYS     8      62.201  50.111  51.767  1.00  0.00        

These are N atoms in my LYS . Can anyone point out what the problem.


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