On Tue, Apr 15, 2025, Marawan Hussien via AMBER wrote:
> Hi,I’m using the PACKMOL‑Memgen plugin to build a membrane‑bound
> protein–ligand system. The documentation lists only ff19SB, ff14SB, and
> ff15ipq as supported protein force fields.
> Could you let me know whether older Amber force fields
> (e.g., ff99SB‑ILDN) can be used with PACKMOL‑Memgen, and if so, how
> to enable them?
Just a note: ff99SB-ILDN is not really an "Amber" force field, in the sense
that it was not developed by our team. The "ILDN" changes are very close to
those incorporated into ff14SB (along with other amino acid specific
changes), and should provide protein behavior that is every bit as good.
So you might want to consider this option.
[Aside: I don't know if anything would go "wrong" if you tried to use
ff99SB-ILDN in packmol_memgen. You might run some experiments if
ff19SB-ILDN compatibilty is really important for your project.]
...dac
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Received on Thu Apr 17 2025 - 18:00:02 PDT
