[AMBER] [amber-owner.ambermd.org: Re: Query Regarding PDB2GMX Error with Amber Force Field]

From: David A Case via AMBER <amber.ambermd.org>
Date: Mon, 2 Oct 2023 11:13:54 -0600

On Sat, Sep 30, 2023, Fadaei Fatemeh Mgr. via AMBER wrote:
>
> "Atom P in residue DA1 was not found in rtp entry DA5 with 30 atoms while sorting atoms."

The default in Amber is that 5' nucleotides do not have a phosphate group
(since this is quite common with synthetic samples). If you want a
phosphate group, load terminal_monophosphate.lib after you load the regular
RNA or DNA libraries -- this will change the defaults.

...hope this helps....dac

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Received on Mon Oct 02 2023 - 10:30:02 PDT
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