[gmx-users] DPPC to CG DPPC
mishra.sunny at gmail.com
Tue Dec 15 18:02:19 CET 2009
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,
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