[gmx-users] Atom q2 not found in rtp database in residue TRP
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
Has anyone got an idea ?
Thanks a lot and have a nice day using gromacs
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