[gmx-users] lipid .gro file

X.Periole X.Periole at rug.nl
Wed Jul 19 08:44:24 CEST 2006

> I am trying to convert a pdb file containing all DMPC
> coordinates to .gro file. I have searched through the
> web and found out that I am not to use pdb2gmx
> directly and also that I have to make a .top file
> containing dmpc.itp and lipid.itp files. 
> I am a beginner in gromacs so kindly help me as to how
> can I generate the .gro file? I have the .top file
> ready as is explained on Peter Tielemann's website.
> I think somehow I have to include the dmpc parameters
> to the residue topology database so that it recognises
> the dmpc molecules, but how to do that?

a gro file is nothing more than a coordinate file in a
different format than pdb ! You do not need a gro file
a pdb file would do the same job !!

however 'editconf -f file.pdb -o file.gro' would make the


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