[gmx-users] The number of lipids

[Justin Lemkul]

On 1/10/13 8:03 PM, Kieu Thu Nguyen wrote:
> Dear All,
>
> I see in MD simulations, the number of lipids is 128 or multiples of 128.
> Can someone tell me why ?

Probably convenience (easy to create 8 x 8 grid for each layer) and adequate 
sampling.

> Whether can i choose another number of lipids ?
>

Sure, if you can produce a suitable configuration and gather sufficient data. 
Carving out a subset of lipids from an existing bilayer is hard because you 
probably won't get a regular shape, but you can create your own bilayers if you 
like.  If you want more lipids, you can multiply any existing bilayer simply by 
using genconf -nbox.

-Justin

-- 
========================================

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

========================================