[gmx-users] Atom q2 not found in rtp database in residue TRP

Joern Lenz JLenz at zbh.uni-hamburg.de
Mon Nov 6 12:03:33 CET 2006

dear gromacs users,

i am performing a simulation of a system of a protein together with a DNA 
using the amber03 forcefield which i loaded down from  
I converted all LYS residues in my pdb file into LYP and all HIS into HIP 
(please correct me if you think that this does not make sense).
Does anyone know a script or program which automatically converts pdb files 
into amber pdb files so that i can use the amber03 FF without changing atoms 
here and there ?

When i start pdb2gmx there always occurs the same error:
"Atom q2 not found in rtp database in residue TRP"
I cannot recognize where this error comes from and so i am not able to fix 
this error.
Has anyone got an idea ? 
Thanks a lot and have a nice day using gromacs

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