Joern Lenz wrote:
QUESTION: 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 ?
check that the columns in your pdb file are correct.
search for q2 in your pdb file.
I checked both suggestions but the error is still there.
what can i further do to run pdb2gmx correctly ?
Tell us some useful diagnostic information.
Did you compare your PDB file to the syntax available here
http://www.rcsb.org/pdb/static.do?p=file_formats/pdb/index.html and it
was correct?
Did you find q2 with a text search or not?
Mark
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