[gmx-users] Error in pdb2gmx

[Robert Kretschmer]

Dear all,

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:

"Fatal error:
Incomplete ring in HIS221"

I checked HIS221 and found, that it should be an alanine.

What kann I do?

kind regards

robert
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