[gmx-users] Re:Understanding about OPLS-aa lipids

Justin A. Lemkul jalemkul at vt.edu
Fri Apr 25 13:37:53 CEST 2008

Quoting minnale <minnale_gnos at rediffmail.com>:

> Thanks Mark for your reply,
> I wanted to ask you that, the link which I mentioned means opls-aa ff
> specifially for lipids?
> I wanted to use opls-ff for both protein and lipid , shall I follow the
> procedure according to the link.
> http://www.gromacs.org/pipermail/gmx-users/2006-September/023639.html
> Thanks for your invaulable suggestion.

The procedure Chris posted at that link is so that one can use the Berger lipid
parameters (available at Tieleman's site) compatible with OPLS-AA, which is
used for the protein.  Follow what he says in that message closely; there have
also been more recent discussions about using that particular procedure if you
have other questions or run into difficulty.



Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080


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