[gmx-users] DPPC to CG DPPC

[XAvier Periole]

No need of position restrained simulation with the CG lipids.
CG is very forgiving :))

For proteins it is more delicate.

On Dec 15, 2009, at 6:02 PM, sunny mishra wrote:

> Thanks for the reply. I have another quick question that If I have  
> to do the Position Restrained EM Simulation of CG DPPC lipid then is  
> it done the same way we do for atomistic structure of proteins like  
> by defining the LIPPOSRES in the lipid.mdp file or while using  
> MARTINI forcefield is there any other way of doing the Position  
> Restrained EM simulation of CG DPPC lipids?
>
> On Tue, Dec 15, 2009 at 10:55 AM, XAvier Periole <x.periole at rug.nl>  
> wrote:
> 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 anyone know how can I convert the 128 DPPC  
> atomistic structure of lipids to CG structure.
>
> This is correct. atom2cg is only working for proteins ...
>
> I would suggest you take dppc structure file from the martini web  
> site!
>
> Best Regards,
>
> Sunny
>
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