Dear Amber users
I am using a pdb structure of protein. During leap processing I get the
following error message:-
Loading PDB file: ./protein_noH.pdb
Created a new atom named: HD1 within residue: .R<HIE 32>
Created a new atom named: HD1 within residue: .R<HIE 155>
Created a new atom named: HD1 within residue: .R<HIE 263>
Created a new atom named: HD1 within residue: .R<HIE 451>
Created a new atom named: HC within residue: .R<CHIE 513>
Added missing heavy atom: .R<CHIE 513>.A<OXT 18>
total atoms in file: 7834
Could you please suggest how I should correct the above-mentioned problem?
I want to keep the protonation state of histidine the same.
I have also tried with pdb4amber but still the same error.
Thanks in advance for your help.
Regards
Sadaf
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Received on Fri Feb 25 2022 - 18:00:02 PST
