[gmx-users] DPPC to CG DPPC

Justin A. Lemkul jalemkul at vt.edu
Tue Dec 15 16:53:03 CET 2009

sunny mishra wrote:
> Dear All,
> I have downloaded the 128 DPPC lipid molecules from Dr. Tielmen's 
> Website and I am trying to convert the Atomistic structure to CG 
> structure. For that I am using atom2cg script provided by the martini 
> folks but it doesn't convert the Atomistic structure to CG structure. 
> atom2cg script works well for converting the atomistic structure of 
> PROTEIN to CG structure of protein but for LIPIDS it doesn't work. Does 

Right, because it's designed specifically for proteins.

> anyone know how can I convert the 128 DPPC atomistic structure of lipids 
> to CG structure.

There is no need.  On the MARTINI site, they offer several pre-equilibrated CG 
lipid membranes, suitable topologies, etc.


> Best Regards,
> Sunny


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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