[gmx-users] "manual" on lipid bilayer simulation

Arturas a3arzi at vaidila.vdu.lt
Wed Oct 5 16:11:49 CEST 2005

Hello, Pedro,

Thank you for your answer. Yes - I have checked Peter Tieleman's site.
As far as I got deeper into the [gmx-users] list searching for
information about lipid membranes and membrane/protein systems I
found a lot of messages.

However I found that there is a lot of opinions. For example, I did
not found solid criterias on choosing parameters like compresability,
rlist, nstlist, rvdw, etc.

So I asked in case is there any "manual"/tutorial for lipid bilayers
like there is "GROMACS tutorial for drug - enzyme complex" tutorials.
it srves veru nice for starting.

With best
Arturas Z.

Wednesday, October 5, 2005, 4:54:15 PM, you wrote:

>> Hello,
>> Is there any step-by-step or "manual" how to construct and model a
>> lipid bilayer ? I am searching for some accumulated information in one
>> place.
>  I'm afraid there isn't... 
>  But you can construct a bilayer from scratch by replicating a single lipid
> molecule or you can download one that is already constructed and equilibrated
> and use it as a template. For this last option check Peter Tieleman's site
> (University of Calgary).

>  Cheers.

> Pedro.


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