Re: [AMBER] lipidscd S.D.

From: Daniel Roe <>
Date: Tue, 22 Jan 2019 19:19:50 -0500


This seems strange, and is something that has been reported at least
once before, but I've never been able to reproduce it. Could you
possibly send me off-list files I can use to reproduce the behavior in
cpptraj (topology, trajectory, input)? Thanks


On Tue, Jan 22, 2019 at 9:44 AM Stephan Schott <> wrote:
> Hi everyone,
> I had some order parameter calculations with lipidorder, but I wanted to have the per-tail component without the hassle of defining the residue ids. I tried lipidscd, and the values seem to be right, but the SD is in the same order of magnitude as the order parameter itself. The SD of lipidorder was quite small, on the other hand. Anything particularly different going on under the hood, or something I'm missing?
> Cheers,
> --
> Stephan Schott Verdugo
> Biochemist
> Heinrich-Heine-Universitaet Duesseldorf
> Institut fuer Pharm. und Med. Chemie
> Universitaetsstr. 1
> 40225 Duesseldorf
> Germany

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Received on Tue Jan 22 2019 - 16:30:02 PST
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