[gmx-users] Error in pdb2gmx
robert.kretschmer at uni-jena.de
Fri Mar 6 18:54:59 CET 2009
i have a problem while running pdb2gmx. I want to run a md simulation with HIV-ReverseTranscriptase (PDB: 1TVR & 1HNV). But in pdb2gmx i get the following error:
Incomplete ring in HIS221"
I checked HIS221 and found, that it should be an alanine.
What kann I do?
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