Re: [AMBER] antechamber use for two unit ligand

From: Rana Rehan Khalid <>
Date: Sat, 6 Nov 2021 09:32:17 -0400

Yes a covalent bond between two, thank you I understand what you said.


On Sat, 6 Nov 2021, 9:26 am David A Case, <> wrote:

> On Fri, Nov 05, 2021, Rana Rehan Khalid wrote:
> >
> >Could you please guide me, how we can parameterize ligand that consists of
> >two unit (FAD,4CR). I can parametrize the single unit but can we use
> >antechamber for two unit ligand. input file attached.
> Can you explain what you mean by "two units"? If these are separate
> ligands, you just need to run antechamber twice, once for FAD and once for
> 4CR. If there a covalent bond between the two, then assign a name for the
> whole thing, and just run antechamber once.
> >Or do we need to use g09 to generate prep file.
> If you wish to use am1-bcc charges (the most common choice), you don't need
> g09 or any other external programs.
> ....dac
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Received on Sat Nov 06 2021 - 07:00:03 PDT
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