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

[Justin A. Lemkul]

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


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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/

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