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
convertion.
XAvier
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