Dear all,
Good morning. I am trying to prepare my protein-ligand complex. I prepared
the ligand separately and after sevel issues managed to get the ligand
files. For the protein, i first used the pdb4amber tool and got the
converted protein file. when i load this file into tleap, i get the
following errors
-----------------------------
Created a new atom named: HT1 within residue: .R<NSER 1>
Created a new atom named: HT2 within residue: .R<NSER 1>
Created a new atom named: HT3 within residue: .R<NSER 1>
Created a new atom named: HN within residue: .R<THR 2>
Created a new atom named: HN within residue: .R<ILE 3>
----------------------------------------------------------------------
I looked on the internet and found Dr. Peng Fei's parameter file to solve
the "HN" residue issue. I am attaching the file (parmff18_0e8) here. Not
sure if it can solve the issue. Can anyone guide?
Thank you
Ayesha
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Received on Fri Nov 06 2020 - 08:30:02 PST
