Either use atomNameMap entries in leap to map to the Amber atom names,
or modify your pdb to match. 'desc ACE' in leap to see what the gods
want of you. :-)
On 12/20/18 12:22 AM, Keiran Corbett wrote:
> Hello,
>
> I keep getting errors of this kind in tleap and wondered what peoples fix
> was if this has happened
>
> AmberTools18
>
> Created a new atom named: HH31 within residue: .R<ACE 111>
> Created a new atom named: HH32 within residue: .R<ACE 111>
> Created a new atom named: HH33 within residue: .R<ACE 111>
> Created a new atom named: HH31 within residue: .R<ACE 123>
> Created a new atom named: HH32 within residue: .R<ACE 123>
> Created a new atom named: HH33 within residue: .R<ACE 123>
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Received on Thu Dec 20 2018 - 03:00:02 PST
