Re: [AMBER] Lipid21

From: Stephan Schott <>
Date: Thu, 16 Sep 2021 10:09:52 +0200

Hi Saleh,
It is still to be released. I added a lookup in case it is released during
the year, so right now while you can pack systems with sphingomyelin, there
are no parameters for it. Callum (in CC) might give us some idea about the
potential release, hopefully we get them soon :D.
At the moment, you can try to parametrize the structure packed by
packmol-memgen yourself (you can get a plain pdb to have a framework to
work on by using the --keep flag; most intermediate files including the
lipids should stay in your folder then).
Best regards,

El jue, 16 sept 2021 a las 8:44, Alyemni, Saleh (<>)

> Hi,
> I'm trying to build a lipid bilayer membrane system using packmol-memgen,
> and one of the lipids is the sphingomyelin PSM, but whenever I try to build
> it I get this warning:
> Lipid21 was not found in AMBERHOME. Falling back to lipid17!
> 09/15/2021 02:44:15 PM:WARNING:
> WARNING:LIPID17 doesn't currently support sphingomyelin! AMBER
> parametrization will be disabled.
> 09/15/2021 02:44:16 PM:INFO:
> Is there a way to get the new forcefield lipid21 or is it still to be
> released, because I couldn't find it on the amber website? and if not is
> there any other way that I could do it.
> Cheers,
> Saleh AlYemni
> PhD Candidate, UCL School of Pharmacy
> _______________________________________________
> AMBER mailing list

Stephan Schott Verdugo
Heinrich-Heine-Universitaet Duesseldorf
Institut fuer Pharm. und Med. Chemie
Universitaetsstr. 1
40225 Duesseldorf
AMBER mailing list
Received on Thu Sep 16 2021 - 01:30:02 PDT
Custom Search